CAS: 93-17-4; 3,4-Dimethoxyphenylacetonitrile

• 英文名称3,4-Dimethoxyphenylacetonitrile
• 中文名称(3,4-二甲氧苯基)乙腈
• IUPAC名称2-(3,4-dimethoxyphenyl)acetonitrile
• 其它别名3,4-Dimethoxybenzyl cyanide; Homoveratronitrile; Veratryl cyanide
• CAS编号93-17-4
• MFCD编号:MFCD00001911
• EINECS号:202-225-1
• FDA UNII编号:62C8S706SP
• 分子式:C10H11NO2
• 分子量:177.2
• 产品CID: 1970252
• 产品分类化学试剂 → 有机试剂 → 氰化物/腈

• 相似结构搜索
• InChIKey: ASLSUMISAQDOOB-UHFFFAOYSA-N
• InChI=1S/C10H11NO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5H2,1-2H3…
• 计算化学: 氢键受体数3.0氢键供体数0.0可旋转键数3.0

物理性质

• 熔点54-57  °C(文献)
• 沸点319.7±0.0 °C at 760 mmHg
• 闪点116.6±16.4 °C
• 密度1.1±0.1 g/cm3
• PSA:42.25
• LogP:1.19
• 折射率1.512
• 蒸汽压0.0±0.6 mmHg at 25°C
• 溶解性Methanol: 0.1 G/ml, Clear
• 外观形态黄色晶体或结晶针状物
• 储存条件密封, 常温干燥保存
• 产品应用用于制药工业, 合成罂粟碱.
• 性质描述该品为固体结晶.熔点62-65°C,沸点171-178°C(10毫米汞柱),闪点250°C,水溶性insoluble

MSDS等安全信息

• GHS象形图
• GHS符号GHS06;
  注释: Skull and crossbones
• 危险类别急性毒性 类别3(经口)
  急性毒性 类别4(经口)
  急性毒性 类别4(经皮)
  急性毒性 类别3(吸入)
  急性毒性 类别3(经皮)
• 警示词Danger(危险)
• 危险描述H301 |吞咽会中毒.
  H302 |吞咽有害.
  H312 |皮肤接触有害.
  H331 |吸入会中毒.
  H311 |皮肤接触会中毒.
• 防范说明P301+P312+P330
• 危险等级IRRITANT
• UN编号3276
• 危险品标志Xn,T
• 安全声明36/37-45-22-36-26
• 危险类别码22-23/24/25-36/37/38-20/21/22
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 7306-46-9 = 93-17-4
  反应条件:1.1 Solvents: Dimethylformamide,Toluene,Water; Rt
  标题:Halomethylation And Cyanation Method For Preparing Alkoxyphenylacetonitriles And Their Alkoxybenzyl Halides From Phenyl Ethers
  参考文献:Russian Federation]
  
  5663-56-9 = 93-17-4
  反应条件:1.1 Reagents: 1,8-Diazabicyclo[5.4.0]Undec-7-Ene Solvents: Dichloromethane; 10 Min,Rt1.2 Reagents: Ethyl Phosphorodichloridate; 2 H,Rt1.3 Reagents: Ammonium Chloride Solvents: Water; Rt
  标题:A Convenient New Procedure For Converting Primary Amides Into Nitriles
  作者:Kuo,Chun-Wei; Zhu,Jia-Liang; Wu,Jen-Dar; Chu,Cheng-Ming; Yao,Ching-Fa; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2007 卷标:(3) 页码:301-303]
  
  7306-46-9 = 93-17-4
  反应条件:1.1 Reagents: Sodium Iodide Solvents: Acetone; 20 H,Reflux
  标题:Synthesis 3,4-Dimethoxybenzyl-2,4-Dihydroxyphenyl Ketone From Eugenol
  作者:Matsjeh,S.; Anwar,C.; Sholikhah,E. N.; Alimuddin,A. A.
  参考文献:International Journal Of Chemical Engineering And Applications 日期:2015 卷标:6(1) 页码:61-65]
  
  77733-60-9 = 93-17-4
  反应条件:1.1 Reagents: Potassium Hydroxide Catalysts: Tetrabutylammonium Bromide Solvents: Dimethyl Sulfoxide; 30 Min,Reflux1.2 Reagents: Acetic Acid Solvents: Water; Ph 7
  标题:A Process For Preparing 3,4-Dimethoxyphenylacetonitrile
  参考文献:China]
  
  2859-78-1 + 928664-98-6 = 93-17-4
  反应条件:1.1 Reagents: Potassium Fluoride Catalysts: [1,1′-Bis(Diphenylphosphino)Ferrocene]Dichloropalladium Solvents: Dimethyl Sulfoxide,Water; 16 H,130 °C
  标题:Palladium-Catalyzed Cyanomethylation Of Aryl Halides Through Domino Suzuki Coupling-Isoxazole Fragmentation
  作者:Velcicky,Juraj; Soicke,Arne; Steiner,Roland; Schmalz,Hans-Gunther
  参考文献:Journal Of The American Chemical Society 日期:2011 卷标:133(18) 页码:6948-6951]
  
  120-20-7 = 93-17-4
  反应条件:1.1 Reagents: Iodine,2-Iodoxybenzoic Acid Solvents: Dimethyl Sulfoxide; 3 H,65 °C1.2 Reagents: Sodium Thiosulfate Solvents: Water
  标题:Oxidative Conversion Of Amines Into Their Corresponding Nitriles Using O-Iodoxybenzoic Acid (Ibx)/iodine. Selective Oxidation Of Aminoalcohols To Hydroxynitriles
  作者:Chiampanichayakul,Supanimit; Pohmakotr,Manat; Reutrakul,Vichai; Jaipetch,Thaworn; Kuhakarn,Chutima
  参考文献:Synthesis 日期:2008 卷标:(13) 页码:2045-2048]
  
  7306-46-9 = 93-17-4
  反应条件:1.1 Reagents: Sodium Hydroxide Catalysts: Tetrabutylammonium Bromide Solvents: Water; Rt -> 90 °C; 30 - 60 Min,65 - 85 °C
  标题:Synthesis Of Palmatine And Its Salt From Catechol
  参考文献:China]
  
  105-56-6 + 5460-32-2 = 93-17-4
  反应条件:1.1 Reagents: Cuprous Iodide,Water Solvents: Water
  标题:A Simple One-Pot Conversion Of Aryl Halides Into Arylacetonitriles
  作者:Suzuki,Hitomi; Kobayashi,Tsutomu; Yoshida,Yoshiki; Osuka,Atsuhiro
  参考文献:Chemistry Letters 日期:1983 卷标:(2) 页码:193-4]
  
  51655-39-1 = 93-17-4
  反应条件:1.1 Reagents: Tetrahydrofuran,Sodium Carbonate Catalysts: Cesium Iodide,Nickel Iodide (Nii2),1,1′-(1,4-Butanediyl)Bis[1,1-Dicyclohexylphosphine]; 15 Min,Rt; 72 H,35 °C1.2 Reagents: Hydrochloric Acid Solvents: Water
  标题:Nickel-Catalyzed Photodehalogenation Of Aryl Bromides
  作者:Higginson,Bradley; Sanjose-Orduna,Jesus; Gu,Yiting; Martin,Ruben
  参考文献:Synlett 日期:2021 卷标:32(16) 页码:1588-1605]
  
  93-40-3 + 19158-51-1 = 93-17-4
  反应条件:1.1 Catalysts: Riboflavin,2′,3′,4′,5′-Tetraacetate Solvents: Acetonitrile; 10 Min,Rt; 12 H,Rt1.2 Reagents: Triethylamine,Sodium Hydroxide Solvents: Water; 15 Min,Rt1.3 Solvents: Ethyl Acetate; 15 Min,Rt
  标题:Decarboxylative Cyanation Of Aliphatic Carboxylic Acids Via Visible-Light Flavin Photocatalysis
  作者:Ramirez,Nieves P.; Konig,Burkhard; Gonzalez-Gomez,Jose C.
  参考文献:Organic Letters 日期:2019 卷标:21(5) 页码:1368-1373]
  
  120-20-7 = 93-17-4
  反应条件:1.1 Reagents: Cuprous Chloride
  标题:Oxidation Of Amines To Nitriles Or Aldehydes Using Copper(I) Chloride
  作者:Kametani,Tetsuji; Takahashi,Keiichi; Ohsawa,Tatsushi; Ihara,Masataka
  参考文献:Synthesis 日期:1977 卷标:(4)]
  
  7306-46-9 = 93-17-4
  反应条件:1.1 Solvents: Water; 3 H,68 °C
  标题:Method For Producing 3,4-Dimethoxy Phenylethylamine
  参考文献:China]
  
  = 93-17-4
  反应条件:1.1 Reagents: Acetic Anhydride
  标题:Homoamines And Homoacids
  作者:Julian,Percy L.; Sturgis,Bernard M.
  参考文献:Journal Of The American Chemical Society 日期:1935 卷标:57 页码:1126-8]
  
  5663-56-9 = 93-17-4
  反应条件:1.1 Reagents: Phosphorus Pentoxide Solvents: Toluene; 1 H,Reflux
  标题:Method For Synthesizing α-Isopropyl-3,4-Dimethoxy Phenylacetonitrile
  参考文献:China]
  
  7306-46-9 = 93-17-4 [标题:Reaction Conditions
  标题:Syntheses Based On β-Phenylethylamines. I. Preparation Of Substituted β-Phenylethylamines
  作者:Vinogradova,V. I.; Yunusov,M. S.; Kuchin,A. V.; Tolstikov,G. A.; Sagandykov,R. T.; Et Al
  参考文献:Khimiya Prirodnykh Soedinenii 日期:1990 卷标:(1) 页码:67-74]
  
  7306-46-9 = 93-17-4
  反应条件:1.1 Catalysts: Tetrabutylammonium Bromide Solvents: Toluene,Water; 1 H,25 °C; 4 D,25 - 30 °C
  标题:Synthesis,Characterization And Antimicrobial Activity Studies Of 1- & 2-[{2-(3,4-Dimethoxyphenyl)Ethyl}Methylamino]Sulphonylnaphthalenes
  作者:Dayalan,A.; Babu,C. Suneel Manohar; Visweswaran,V.
  参考文献:Asian Journal Of Chemistry 日期:2008 卷标:20(2) 页码:1411-1419]
  
  120-20-7 = 93-17-4
  反应条件:1.1 Reagents: Tetrabutylammonium Bromide,2-Iodoxybenzoic Acid Solvents: Acetonitrile; 5 Min,Rt1.2 5 Min,Rt1.3 Reagents: Sodium Bisulfite Solvents: Water; Rt
  标题:Ibx/tbab-Mediated Oxidation Of Primary Amines To Nitriles
  作者:Drouet,Fleur; Fontaine,Patrice; Masson,Geraldine; Zhu,Jieping
  参考文献:Synthesis 日期:2009 卷标:(8) 页码:1370-1374]
  
  96824-26-9 = 93-17-4 [标题:Reaction Conditions
  标题:New Methods And Reagents In Organic Synthesis. 45. A New Synthesis Of Some Nonsteroidal Antiinflammatory Agents Via Cyano Phosphates
  作者:Harusawa,Shinya; Nakamura,Shuji; Yagi,Sayoko; Kurihara,Takushi; Hamada,Yasumasa; Et Al
  参考文献:Synthetic Communications 日期:1984 卷标:14(14) 页码:1365-71]
  
  7306-46-9 = 93-17-4
  反应条件:1.1 Solvents: Acetonitrile; 4 H,Reflux
  标题:Synthesis And Biological Evaluation Of 3,4-Diaryl-5-Aminoisoxazole Derivatives
  作者:Liu,Tao; Dong,Xiaowu; Xue,Na; Wu,Rui; He,Qiaojun; Et Al
  参考文献:Bioorganic & Medicinal Chemistry 日期:2009 卷标:17(17) 页码:6279-6285

海关参考信息

• 2902600000-乙苯
  2905110000-甲醇
  2907210001-间苯二酚
  2908199090-其他酚的卤化衍生物
• 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
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