CAS: 145166-06-9; Tert-Butyl ((1S,2S)-2-Hydroxycyclohexyl)Carbamate

该化合物是化学化合物,其特点是氨酸衍生物的化合物功能组,其产物来自含碳酸衍生剂的矿泉反应;该化合物的外质组,具有可影响其再活性和溶性的障碍性;氢环环己烷基混合物的存在有助于其潜在的生物活动,因为氢氧基混合物可以从事氢结合,并提高极溶剂中的溶解性;2S,1S)配置显示的立体化学学表明,可能影响到该化合物与生物目标相互作用的具体空间安排;通常,此类化合物由于其潜在的药用化学和药物开发特性,具有潜在的兴趣;此外,三丁基化合物的稳定性可以提供抗水解保护,使其在各种合成应用中有用;总体而言,三乙基N(2S)-2-氢环己基甲基甲酸酯的独特结构特征有助于其在化学研究和潜在治疗应用中的重要性.

英文名称Tert-Butyl ((1S,2S)-2-Hydroxycyclohexyl)Carbamate
中文名称N-((2S,1S)-2-羟基环己基)氨基甲酸叔丁酯
IUPAC名称tert-butyl ((1S,2S)-2-hydroxycyclohexyl)carbamate
其它别名(1S,2S)-2-羟基环己基氨基甲酸叔丁酯; Tert-Butyl N-((2S,1S)-2-Hydroxycyclohexyl)Carbamate
CAS编号145166-06-9
MFCD编号:MFCD11042330
EINECS号:622-851-2
分子式:C11H21NO3
分子量:215.29
产品CID: 687622
产品分类有机原料→分子砌块→脂肪环类化合物→环己烷类化合物

相似结构搜索
InChIKey: XVROWZPERFUOCE-IUCAKERBSA-N
InChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12-8-6-4-5-7-9(8)13/h8-9,13H,4-7H2,1-3H3,(H,12,14)/t8-,9-/m0/s1…
计算化学: 氢键受体数3.0氢键供体数2.0可旋转键数1.0

相似化合物

121282-70-0 214679-17-1 155975-19-2

MSDS等安全信息

GHS象形图
GHS符号GHS07 & GHS09;
注释: Exclamation mark & Environment
危险类别急性毒性类别4(经口)
水生急性毒性类别1
警示词Warning(警告)
危险描述H302 |吞咽有害.
H400 |对水生生物毒性极大.
防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
危险等级9
UN编号3077.0
危险品标志Xn,N
包装等级Ⅲ
安全声明61
危险类别码22-50
WGK Germany3

欧盟法规

ECHA物质C&L通报

上下游产品

tert-butyl dicarbonatedi-tert-butyl dicarbonate trans-2-amin°Cyclohexanol hydr°Chloride (+/-)-trans-2-amin°Cyclohexanol (+/-)-trans-2-(benzyloxy)cyclohexanamine(1S,2S)-2-tert-Butoxycarbonylamino-1-cyclohexanol 2-(tert-butoxycarbonylamino)cyclohexanone rac-trans-2-methylamino-cyclohexanol (3R)-1-(2-(3,4-dimethoxyphenethoxy)cyclohexyl)-2,5-dioxopyrrolidin-3-yl acetate

合成工艺路线路线简述

24424-99-5 + 119479-49-1 = 145166-06-9 [标题:Reaction Conditions
标题:Highly Enantioselective Direct Organocatalytic α-Chlorination Of Ketones
作者:Marigo,Mauro; Bachmann,Stephan; Halland,Nis; Braunton,Alan; Jorgensen,Karl Anker
参考文献:Angewandte Chemie 日期:2004 卷标:43(41) 页码:5507-5510]

24424-99-5 + 216394-07-9 = 145166-06-9
反应条件:1.1 Reagents: Triethylamine Solvents: Tetrahydrofuran1.2 Reagents: Hydrogen Catalysts: Palladium Solvents: Ethanol; 6 H,25 Psi,Rt
标题:Sar And X-Ray Structures Of Enantiopure 1,2-Cis-(1R,2S)-Cyclopentyldiamine And Cyclohexyldiamine Derivatives As Inhibitors Of Coagulation Factor Xa
作者:Qiao,Jennifer X.; Chang,Chong-Hwan; Cheney,Daniel L.; Morin,Paul E.; Wang,Gren Z.; Et Al
参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2007 卷标:17(16) 页码:4419-4427]

121282-70-0 = 145166-06-9 + 156318-44-4
反应条件:1.1 Reagents: Triacylglycerol Lipase Solvents: Vinyl Acetate
标题:Enzymatic Method Of Preparation Of Optically Active Trans-2-Amino Cyclohexanol Derivatives
作者:Ursini,A.; Maragni,P.; Bismara,C.; Tamburini,B.
参考文献:Synthetic Communications 日期:1999 卷标:29(8) 页码:1369-1377]

= 145166-06-9
反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol; 10 H,Rt
标题:Chemoenzymatic Preparation Of Optically Active Trans- And Cis-Cyclohex-4-Ene-1,2-Diamine And Trans-6-Aminocyclohex-3-Enol Derivatives
作者:Quijada,F. Javier; Rebolledo,Francisca; Gotor,Vicente
参考文献:Tetrahedron 日期:2012 卷标:68(37) 页码:7670-7674]

24424-99-5 + 98361-56-9 = 145166-06-9
反应条件:1.1 Reagents: Ammonium Formate Catalysts: Palladium Solvents: Methanol1.2 Solvents: Dichloromethane
标题:Cycloalkanediamine Derivatives As Novel Blood Coagulation Factor Xa Inhibitors
作者:Nagata,Tsutomu; Yoshino,Toshiharu; Haginoya,Noriyasu; Yoshikawa,Kenji; Isobe,Yumiko; Et Al
参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2007 卷标:17(16) 页码:4683-4688]

764659-69-0 = 145166-06-9
反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol; 48 H,4 Atm,Rt
标题:Discovery And Structure-Activity Relationships Of 4-Aminoquinazoline Derivatives,A Novel Class Of Opioid Receptor Like-1 (Orl1) Antagonists
作者:Okano,Masahiko; Mito,Jun; Maruyama,Yasufumi; Masuda,Hirofumi; Niwa,Tomoko; Et Al
参考文献:Bioorganic & Medicinal Chemistry 日期:2009 卷标:17(1) 页码:119-132]

24424-99-5 + 119479-49-1 = 145166-06-9
反应条件:1.1 Reagents: Hydrogen Catalysts: Platinum Dioxide Solvents: Ethyl Acetate; 3.5 H,35 - 40 Psi,Rt1.2 -
标题:Synthesis And Evaluation Of (1S,2R/1R,2S)-Aminocyclohexylglycyl Pnas As Conformationally Preorganized Pna Analogues For Dna/rna Recognition
作者:Govindaraju,T.; Kumar,Vaijayanti A.; Ganesh,Krishna N.
参考文献:Journal Of Organic Chemistry 日期:2004 卷标:69(6) 页码:1858-1865

(1S,2S)-2-Azidocyclohexanol置于platinum(Iv) Oxide 氢气体系中,用乙酸乙酯用作溶剂,20.0 °C,275.79 Kpa 条件下,反应 3.5H,反应生成N-((2S,1S)-2-羟基环己基)氨基甲酸叔丁酯
参考文献:(1S,2R/1R,2S)-Aminocyclohexyl Glycyl Thymine Pna: Synthesis,Monomer Crystal Structures,And Dna/rna Hybridization Studies
标题:(1S,2R/1R,2S)-Aminocyclohexyl Glycyl Thymine Pna: Synthesis,Monomer Crystal Structures,And Dna/rna Hybridization Studies
摘要:Graphicthe Synthesis Of Ethyl Cis-(1S,2R/1R,2S)-2-Aminocyclohex-1-Yl-N-(Thymin-1-Yl-Acetyl) Glycinate (10A And 10B) Via Enzymatic Resolution Of The Key Racemic Intermediate Trans-2-Azido Cyclohexanols 3 Is Reported. The Crystal Structures Of 10 Show Equatorial Disposition Of The Tertiary Amide Group,With The Torsion Angle Beta In The Range 60-70Degrees. The Pna Oligomers Incorporating These Show Differential Effects In Hybridizing With Complementary Dna And Rna.
Doi:10.1021/ol034933M