CAS: 81477-94-3; Tert-Butyl 2-((Diphenylmethylene)Amino)Acetate

该化合物是一种受保护的甘油衍生物,广泛用于化合成和有机化学,其主要优点包括基本条件下的稳定性和与各种混合试剂的兼容性,使其成为建造复杂化物的宝贵中间体.二苯基酯组在酸性条件下提供选择性的去保护,二苯基甲基苯基混合物为氨基生物群提供强有力的保护,防止不必要的侧面反应.该化合物在固相聚聚聚氰化物合成和药用化学应用中特别有用,在这种应用中,受控制的去保护和高产量至关重要.其晶体形式可以确保易于处理和储存.

英文名称Tert-Butyl 2-((Diphenylmethylene)Amino)Acetate
中文名称N-二苯亚甲基-甘氨酸叔丁酯
IUPAC名称tert-butyl 2-((diphenylmethylene)amino)acetate
其它别名Tert-Butyl 2-(Diphenylmethyleneamino)Acetate; N-(Diphenylmethylene)Glycerine Tert-Butyl Ester; N-(Diphenylmethylene)Glycine Tert-Butyl Ester; (Diphenylmethyleneamino)Acetic Acid Tert-Butyl Ester; Tert-Butyl 2-((Diphenylmethylene)Amino)Acetate Diphenyl
CAS编号81477-94-3
MFCD编号:MFCD00134280
EINECS号:805-438-3
分子式:C19H21NO2
分子量:295.38
产品CID: 1808100
产品分类生物化工 → 氨基酸及其衍生物 → 甘氨酸类衍生物

相似结构搜索
产品信息参考;;;;
InChIKey: YSHDPXQDVKNPKA-UHFFFAOYSA-N
InChI=1S/C19H21NO2/c1-19(2,3)22-17(21)14-20-18(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,14H2,1-3H3…
计算化学: 氢键受体数3.0氢键供体数0.0可旋转键数6.0

物理性质

熔点111-115 °C
沸点377.5±34.0 °C at 760 mmHg
闪点134.5±20.1 °C
密度1.0±0.1 g/cm3
pKa:2.31±0.50(预测)
PSA:38.66
LogP:3.88
折射率1.529
蒸汽压0.0±0.9 mmHg at 25°C
溶解性Chloroform (Slightly), Methanol (Slightly)
敏感性按规定使用和贮存的不会分解，避氧化物、酸
外观形态白色结晶
储存条件密封, 常温干燥保存
产品应用该化合物用于生物研究目的的有用染料,是有机合成,制药农用化学品和染料领域使用的重要原材料和中间材料.

MSDS等安全信息

GHS符号GHS07
危险类别特定目标器官毒性 - 单次接触类别3
皮肤腐蚀/刺激类别2
严重眼刺激类别2A
警示词Warning
危险描述H335 |可能引起呼吸道刺激.
H315 |造成皮肤刺激.
H319 |造成严重眼刺激.
防范说明P261-P280-P305+P351+P338-P304+P340-P405-P501A
UN编号NONH for all modes of transport
危险品标志Xi
安全声明22-24/25
危险类别码36/37/38
WGK Germany3

欧盟法规

C&L通报

上下游产品

合成工艺路线路线简述

27532-96-3 + 1013-88-3 = 81477-94-3
反应条件:1.1 Solvents: Dichloromethane; Rt
标题:Access To α,α-Disubstituted Disilylated Amino Acids And Their Use In Solid-Phase Peptide Synthesis
作者:Fanelli,Roberto; Et Al
参考文献:Organic Letters 日期:2015 卷标:17(18) 页码:4498-4501]

119-61-9 + 27532-96-3 = 81477-94-3
反应条件:1.1 Solvents: Dichloromethane; 2 H,Rt
标题:Expedient Synthesis Of Fmoc-(S)-γ-Fluoroleucine And Late-Stage Fluorination Of Peptides
作者:Fanelli,Roberto; Et Al
参考文献:Synlett 日期:2016 卷标:27(9) 页码:1403-1407]

1013-88-3 + 107-59-5 = 81477-94-3
反应条件:1.1 Reagents: Potassium Carbonate Catalysts: 2,6-Lutidine; 20 Min,120 °C
标题:Microwave-Promoted Solvent-Free Synthesis Of N-(Diphenylmethylene)Glycine Alkyl Esters
作者:Wang,Quan Jun; Et Al
参考文献:Chinese Chemical Letters 日期:2009 卷标:20(12) 页码:1405-1407]

1013-88-3 + 107-59-5 = 81477-94-3
反应条件:1.1 Reagents: Potassium Carbonate; 130 °C
标题:Tert-Butyl N-(Diphenylmethylene)Glycinate
作者:Shirakawa,Seiji; Et Al
参考文献:E-Eros Encyclopedia Of Reagents For Organic Synthesis 日期:2011 卷标:1 页码:1-3]

6456-74-2 + 1013-88-3 = 81477-94-3
反应条件:1.1 Solvents: Dichloromethane; Rt
标题:Mechanistic Study Of Ni And Cu Dual Catalyst For Asymmetric C-C Bond Formation; Asymmetric Coupling Of 1,3-Dienes With C-Nucleophiles To Construct Vicinal Stereocenters
作者:Xia,Jingzhao; Et Al
参考文献:Acs Catalysis 日期:2021 卷标:11(11) 页码:6643-6655]

35000-38-5 + 1013-88-3 = 81477-94-3
反应条件:1.1 Reagents: Diisopropylethylamine Solvents: Acetonitrile; 12 H,Reflux
标题:Total Synthesis Of Cryptophycin 3
作者:Danner,Paulami; Et Al
参考文献:European Journal Of Organic Chemistry 日期:2005 卷标:(2) 页码:317-325]

119-61-9 + 6456-74-2 = 81477-94-3
反应条件:1.1 Reagents: Boron Trifluoride Etherate Solvents: Toluene; 8 H,130 °C
标题:Design,Synthesis,And Functional Assessment Of Cmpd-15 Derivatives As Negative Allosteric Modulators For The β2-Adrenergic Receptor
作者:Meng,Kaicheng; Et Al
参考文献:Bioorganic & Medicinal Chemistry 日期:2018 卷标:26(9) 页码:2320-2330]

16874-17-2 + 1013-88-3 = 81477-94-3
反应条件:1.1 Solvents: Dichloromethane; 48 H,Rt
标题:A Rapid And Highly Enantioselective C-11C Bond Formation Of L-[11C]Phenylalanine Via Chiral Phase-Transfer Catalysis
作者:Pekosak,Aleksandra; Et Al
参考文献:Organic & Biomolecular Chemistry 日期:2017 卷标:15(3) 页码:570-575]

= 81477-94-3
反应条件:1.1 Solvents: Diethyl Ether2.1 Reagents: Potassium Carbonate Solvents: 2-Pyrrolidone
标题:Novel Cinchona Alkaloid Derived Ammonium Salts As Phase-Transfer Catalysts For The Asymmetric Synthesis Of Beta-Hydroxy Alpha-Amino Acids Via Aldol Reactions And Total Synthesis Of Celogentin C
作者:Ma,Bing
参考文献:2009 卷标:70(9)]

= 81477-94-3
反应条件:1.1 Solvents: Diethyl Ether; Rt -> Reflux; 4 - 6 H,Reflux; Reflux -> Rt2.1 Reagents: Methanol; 0.5 H,Rt3.1 Solvents: Dichloromethane; 24 H,Rt
标题:Sulfuration Reaction Of Glycine Tert-Butyl Ester Derivatives By Phase Transfer Catalysis
作者:Lu,Xieqin; Et Al
参考文献:Hebei Yiyao 日期:2012 卷标:34(7) 页码:1075-1077]

119-61-9 = 81477-94-3
反应条件:1.1 Reagents: Hexamethyldisilazane Catalysts: Scandium Triflate Solvents: Chlorobenzene; Rt; 12 H,90 °C2.1 Solvents: Dichloromethane; 6 H,Rt
标题:Scandium(Iii) Triflate Catalyzed Direct Synthesis Of N-Unprotected Ketimines
作者:Kondo,Yuta; Et Al
参考文献:Organic Letters 日期:2020 卷标:22(1) 页码:120-125]

= 81477-94-3
反应条件:1.1 Reagents: Methanol; 0.5 H,Rt2.1 Solvents: Dichloromethane; 24 H,Rt
标题:Sulfuration Reaction Of Glycine Tert-Butyl Ester Derivatives By Phase Transfer Catalysis
作者:Lu,Xieqin; Et Al
参考文献:Hebei Yiyao 日期:2012 卷标:34(7) 页码:1075-1077]

= 81477-94-3
反应条件:1.1 Reagents: Ammonia Solvents: Diethyl Ether; 2 H,-40 °C; -40 °C -> Rt; Overnight,Rt2.1 Solvents: Dichloromethane; 24 H,Rt
标题:Preparation And Characterization Of [5-13C]-(2S,4R)-Leucine And [4-13C]-(2S,3S)-Valine - Establishing Synthetic Schemes To Prepare Any Site-Directed Isotopomer Of L-Leucine,L-Isoleucine And L-Valine
作者:Siebum,Arjan H. G.; Et Al
参考文献:European Journal Of Organic Chemistry 日期:2003 卷标:(23) 页码:4664-4678]

91-00-9 = 81477-94-3
反应条件:1.1 Reagents: Sodium Hydroxide,Potassium Persulfate,Nickel Sulfate (Niso4) Solvents: Dichloromethane,Water2.1 Reagents: Diisopropylethylamine Solvents: Acetonitrile
标题:A New Total Synthetic Pathway To Cryptophycin-3 And An Analogue As Well As An Efficient Approach To The Total Synthesis Of The Proteasome Inhibitor Epoxomicin
作者:Danner,Paulami
参考文献:2007]

1138-80-3 = 81477-94-3
反应条件:1.1 Reagents: Potassium Carbonate Catalysts: Benzyltriethylammonium Chloride Solvents: Dimethylacetamide; 24 H,55 °C2.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Ethanol3.1 Solvents: Dichloromethane; 24 H,Rt
标题:Preparation And Characterization Of [5-13C]-(2S,4R)-Leucine And [4-13C]-(2S,3S)-Valine - Establishing Synthetic Schemes To Prepare Any Site-Directed Isotopomer Of L-Leucine,L-Isoleucine And L-Valine
作者:Siebum,Arjan H. G.; Et Al
参考文献:European Journal Of Organic Chemistry 日期:2003 卷标:(23) 页码:4664-4678]

27532-96-3 + 1013-88-3 = 81477-94-3
反应条件:1.1 Solvents: Dichloromethane; 24 H,Rt
标题:Stereoselective Synthesis Of Unsaturated α-Amino Acids
作者:Fanelli,Roberto; Et Al
参考文献:Amino Acids 日期:2015 卷标:47(6) 页码:1107-1115]

119-61-9 + 27532-96-3 = 81477-94-3
反应条件:1.1 Reagents: Hexamethyldisilazane Catalysts: Scandium Triflate Solvents: Chlorobenzene; Rt; 24 H,90 °C1.2 Solvents: Dichloromethane; 6 H,Rt
标题:Scandium(Iii) Triflate Catalyzed Direct Synthesis Of N-Unprotected Ketimines
作者:Kondo,Yuta; Et Al
参考文献:Organic Letters 日期:2020 卷标:22(1) 页码:120-125]

1013-88-3 = 81477-94-3
反应条件:1.1 Reagents: Diisopropylethylamine Solvents: Acetonitrile
标题:A New Total Synthetic Pathway To Cryptophycin-3 And An Analogue As Well As An Efficient Approach To The Total Synthesis Of The Proteasome Inhibitor Epoxomicin
作者:Danner,Paulami
参考文献:2007]

6456-74-2 + 1013-88-3 = 81477-94-3
反应条件:1.1 Solvents: Dichloromethane; 24 H,Rt
标题:Preparation And Characterization Of [5-13C]-(2S,4R)-Leucine And [4-13C]-(2S,3S)-Valine - Establishing Synthetic Schemes To Prepare Any Site-Directed Isotopomer Of L-Leucine,L-Isoleucine And L-Valine
作者:Siebum,Arjan H. G.; Et Al
参考文献:European Journal Of Organic Chemistry 日期:2003 卷标:(23) 页码:4664-4678]

119-61-9 + 6456-74-2 = 81477-94-3
反应条件:1.1 Catalysts: Boron Trifluoride Etherate Solvents: Toluene
标题:Synthesis Of Racemic [3-11C]-Labeled Alanine,2-Aminobutyric Acid,Norvaline,Norleucine,Leucine And Phenylalanine And Preparation Of L-[3-11C]Alanine And L-[3-11C]Phenylalanine
作者:Antoni,Gunnar; Et Al
参考文献:Journal Of Labelled Compounds And Radiopharmaceuticals 日期:1987 卷标:24(2) 页码:125-43]

16881-32-6 = 81477-94-3
反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Ethanol2.1 Solvents: Dichloromethane; 24 H,Rt
标题:Preparation And Characterization Of [5-13C]-(2S,4R)-Leucine And [4-13C]-(2S,3S)-Valine - Establishing Synthetic Schemes To Prepare Any Site-Directed Isotopomer Of L-Leucine,L-Isoleucine And L-Valine
作者:Siebum,Arjan H. G.; Et Al
参考文献:European Journal Of Organic Chemistry 日期:2003 卷标:(23) 页码:4664-4678]

6456-74-2 = 81477-94-3
反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Dichloromethane; Rt2.1 Solvents: Dichloromethane; 24 H,Rt
标题:Sulfuration Reaction Of Glycine Tert-Butyl Ester Derivatives By Phase Transfer Catalysis
作者:Lu,Xieqin; Et Al
参考文献:Hebei Yiyao 日期:2012 卷标:34(7) 页码:1075-1077

2-甲基-2-丙基n-[(苄氧基)羰基]甘氨酸酯置于palladium On Activated Charcoal 氢气体系中,用乙醇,二氯甲烷作为反应溶剂,化学反应 24.0H,反应生成 N-二苯亚甲基-甘氨酸叔丁酯
参考文献:[5-13C]-(2S,4R)-亮氨酸和[4-13C]-(2S,3S)-缬氨酸的制备和表征-建立合成方案以制备l-亮氨酸,L-异亮氨酸和l的任何定点异构体-缬氨酸
标题:[5-13C]-(2S,4R)-亮氨酸和[4-13C]-(2S,3S)-缬氨酸的制备和表征-建立合成方案以制备l-亮氨酸,L-异亮氨酸和l的任何定点异构体-缬氨酸
摘要:在本文中,开发了一种化学酶促方法,可以获取必需氨基酸异亮氨酸和缬氨酸的任何同位素.该方法正确引入了 (2S,3S)-异亮氨酸中的第二个手性中心,并允许区分缬氨酸中的两个前手性甲基,如 (2S,3S)-[4-13C] 缬氨酸的制备所示.为了制备任何同位素形式的 (2S)-亮氨酸,已使用 O'Donnell 方法来制备光学活性氨基酸.该方法中使用的受保护甘氨酸支架是通过允许访问任何同位素形式的策略制备的.[5-13C]-(2S,4R)-亮氨酸表明,O'Donnell 方法与 Evans 方法结合获得手性 2-甲基丙基碘可以很好地区分两个前手性甲基.o'Donnell 策略制备 α-氨基酸优于其他方法,因为反应条件温和,手性助剂易于回收,旋光产物易于分离.对于制备富含同位素的缬氨酸和异亮氨酸,O'Donnell 方法不适合,因为所涉及的烷基取代基具有仲卤取代基,该取代基在空间上受阻而无法与受保护的甘氨酸进行有效反应.(©
DOI:10.1002/ejoc.200300410

海关参考信息

2902300000-甲苯
2905122000-异丙醇
2905143000-叔丁醇
2909110000-乙醚
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专利信息

专利号:US-5554753-A
优先权日:1993-08-25
标题:Catalytic enantioselective synthesis of Î±-amino acid derivatives by phase-transfer catalysis
发明人：O'DONNELL MARTIN J; WU SHENGDE; ESIKOVA IRENA; MI AIQIAO
权利人:INDIANA UNIVERSITY FOUNDATION
摘要:Described are improved processes for the enantioselective synthesis of Î±-amino acids which involve combinations of solvents, highly-mixed and low-temperature reaction conditions, and novel catalysts. Also described are novel catalysts and precursors to Î±-amino acid derivatives.

专利号:US-8324417-B2
优先权日:2009-08-19
标题:Process for the preparation of (S)-2-amino-5-cyclopropyl-4,4-difluoropentanoic acid and alkyl esters and acid salts thereof
发明人：HART BARRY; DENER JEFF; GREEN MICHAEL; STANDEN MICHAEL; KOCIAN OLDRICH
权利人:HART BARRY; DENER JEFF; GREEN MICHAEL; STANDEN MICHAEL; KOCIAN OLDRICH; VIROBAY INC
摘要:The present invention relates to a process for the preparation of alkyl esters of (S)-2-amino-5-cyclopropyl-4,4-difluoropentanoic acid, which are intermediates useful in the synthesis of (S)â€”N-(1-cyanocyclopropyl)-5-cyclopropyl-4,4-difluoro-2-((S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethylamino)pentanamide and related compounds, which are compounds that are cysteine protease inhibitors.

专利号:US-2016073631-A1
优先权日:2013-03-04
标题 :Process for the preparation of dihydropyrrole derivatives
发明人：EL QACEMI MYRIEM; SMITS HELMARS; CASSAYRE JEROME YVES; MULHOLLAND NICHOLAS PHILLIP; RENOLD PETER; GODINEAU EDOUARD; PITTERNA THOMAS
权利人:SYNGENTA PARTICIPATIONS AG; SYNGENTA LTD
摘要:The present invention provides stereoselective processes for the preparation of compounds of formula (I) n n n n n n n n n n n n wherein n P is phenyl, naphthyl, a 6-membered heteroaryl group containing one or two nitrogen atoms as ring members, or a 10-membered bicyclic heteroaryl group containing one or two nitrogen atoms as ring members, and wherein the phenyl, naphthyl and heteroaryl groups are optionally substituted; n R 1 is chlorodifluoromethyl or trifluoromethyl; n R 2 is optionally substituted aryl or optionally substituted heteroaryl; n n is 0 or 1; n including the process comprising n (a-i) reacting a compound of formula II n n n n n n n n n n n n n n n n wherein P, R 1 and R 2 are as defined for the compound of formula I; n with nitromethane in the presence a chiral catalyst to give a compound of formula III n n n n n n n n n n n n n n n n wherein P, R 1 and R 2 are as defined for the compound of formula I; and n (a-ii) reductively cyclising the compound of formula III to give the compound of formula I. n n n n n The invention also provides intermediates useful for processes for the synthesis of compounds of formula (I).

专利号:US-9233920-B2
优先权日:2010-06-11
标题 :Process for the preparation of dihydropyrrole derivatives
发明人：EL QACEMI MYRIEM; SMITS HELMARS; CASSAYRE JEROME YVES; MULHOLLAND NICHOLAS PHILLIP; RENOLD PETER; GODINEAU EDOUARD; PITTERNA THOMAS
权利人:EL QACEMI MYRIEM; SMITS HELMARS; CASSAYRE JEROME YVES; MULHOLLAND NICHOLAS PHILLIP; RENOLD PETER; GODINEAU EDOUARD; PITTERNA THOMAS; SYNGENTA PARTICIPATIONS AG; SYNGENTA LTD
摘要:The present invention provides stereoselective processes for the preparation of compounds of formula (I) wherein P is phenyl, naphthyl, a 6-membered heteroaryl group containing one or two nitrogen atoms as ring members, or a 10-membered bicyclic heteroaryl group containing one or two nitrogen atoms as ring members, and wherein the phenyl, naphthyl and heteroaryl groups are optionally substituted; R 1 is chlorodifluoromethyl or trifluoromethyl; R 2 is optionally substituted aryl or optionally substituted heteroaryl; n is 0 or 1; including the process comprising (a-i) reacting a compound of formula II wherein P, R 1 and R 2 are as defined for the compound of formula I; with nitromethane in the presence a chiral catalyst to give a compound of formula III Wherein P, R 1 and R 2 are as defined for the compound of formula I; and (a-ii) reductively cyclizing the compound of formula III to give the compound of formula I. The invention also provides intermediates useful for processes for the synthesis of compounds of formula (I).

专利号:US-9796641-B2
优先权日:2013-03-22
标题:Stabilization of radiosynthetic intermediates
发明人：OTABASHI MUHAMMAD; PHILIPPART GAUTHIER; VOCCIA SAMUEL; WOUTERS LUDOVIC; MORELLE JEAN-LUC
权利人:TRASIS S A
摘要:The present invention relates to a method for stabilizing radiosynthetic intermediates used in synthesis of 18 F radiolabeled aromatic amino acid derivatives toward decomposition caused by beta and gamma radiations by the use of radical scavengers and/or reductants and/or antioxidants.

专利号:US-10730037-B2
优先权日:2015-12-25
标题:Compound and method for manufacturing organic material
发明人：MIYAZAWA TAKASHI; SAKAGUCHI KEN-ICHI
权利人:TOYO GOSEI CO LTD
摘要:Synthesis of organic compounds that has chirality is an important technique in the fields of pharmaceuticals, agrichemicals, health foods and the like. However, raw materials of a catalyst used for the synthesis of such compounds are expensive, and the synthesis needs many steps, so that it is difficult to reduce the cost. Linking a catalyst center to a polymer chain or a resin through an organic group enables to use the catalyst repeatedly and produce a chiral compound at low cost.

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合成参考文献

参考文献:10.1021/ja909972d
摘要:Itsuno S, Paul DK, Salam MA, Haraguchi N. Main-chain ionic chiral polymers: synthesis of optically active quaternary ammonium sulfonate polymers and their application in asymmetric catalysis. J Am Chem Soc. 2010 Mar 10;132(9):2864–5. doi: 10.1021/ja909972d.

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CAS: 81477-94-3; Tert-Butyl 2-((Diphenylmethylene)Amino)Acetate

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