(3,4-Dimethoxyphenyl)acetonitrile (Homoveratronitrile)
CAS 93-17-4 MFCD00001911
化学结构图
SMILES: COc1ccc(CC#N)cc1OC
化学属性
| Mol. Formula | C10H11NO2 |
|---|---|
| Mol. Weight | 177 |
| Boiling Point | 171-178 |
| Melting Point | 62-64 |
| TSCA | No |
| Flash Point | 250 ºC |
| Solubility | 不溶 |
| Density | 1.422 |
别名和识别编码
| Chemical Name | (3,4-Dimethoxyphenyl)acetonitrile |
|---|---|
| CAS Number | 93-17-4 |
| Alfabeta Name | DIMETHOXYPHENYLACETONITRILE 34()-, |
| MDL Number | MFCD00001911 |
| Synonym | 3,4-Dimethoxyphenylacetonitrile 3,4-Dimethoxybenzyl cyanide (3,4-二甲氧苯基)乙腈 3,4-二甲氧基苯乙腈 高藜芦腈 3,4-Dimethoxybenzyl cyanide; Homoveratronitrile; Veratryl cyanide 2-(3,4-Dimethoxyphenyl)acetonitrile (3,4-二甲氧苯基)乙腈 3,4-Dimethoxybenzeneacetonitrile 4-二甲氧基苯乙腈 高藜芦腈 NSC 6324 3 4-二甲氧基苯乙腈 3,4-二甲氧基苯乙腈 Benzeneacetonitrile, 3,4-dimethoxy- (3,4-Dimethoxyphenyl)acetonitrile Veratryl Cyanide 高藜芦腈 Homoveratronitrile Veratryl cyanide |
| EC Number | 202-225-1 |
| Beilstein Registry Number | 1956100 |
| PubChem Substance ID | 66727 |
| Reaxys-RN | 1956100 |
| Chemical Name Translation | (Homoveratronitrile) |
| Wiswesser Line Notation | NC1R CO1 DO1 |
| LabNetwork Molecule ID | LN00158256 |
| InChI | InChI=1S/C10H11NO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5H2,1-2H3 |
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分类
- {SNA} Alphabetical, Biochemicals and Reagents, Building Blocks, C10 to C27, Chemical Synthesis, Cyanides/Nitriles, Detection, Fluorescent Indicators and Probes, Fluorescent Probes, Labels, Particles and Stains, Nitrogen Compounds, Organic Building Blocks,
- {SA} Alphabetical, Biochemicals and Reagents, Building Blocks, C10 to C27, Chemical Synthesis, Cyanides/Nitriles, Detection, Fluorescent Indicators and Probes, Fluorescent Probes, Labels, Particles and Stains, Nitrogen Compounds, Organic Building Blocks, pH Sensitive Probes and Indicators
- {SNA} Alphabetical, Biochemicals and Reagents,
- {SNA} Alpha
产品应用
- An impurity of Verapamil (V125000). An intermediate in the preparation of the muscle relaxant Papverine (P190500).
相关文献及参考
- Marek, E.M. et al.: Khim.-Farmat. Zhur., 17, 1377 (1983); Lacroix, P. et al.: J. Pharmac. Biomed. Anal., 9, 817 (1991);
- Reaction with dimethylamine in the presence of CuCl gives the N,N-dimethylamidine, which, on borohydride reduction, provides an efficient route to the N,N-dimethylphenethylamine: Tetrahedron Lett., 34, 6395 (1993); Org. Synth., 76, 133 (1998). The method is applicable to other alkyl nitriles and to both primary and secondary amines, providing a general route to secondary and tertiary amines from the corresponding nitriles:
安全信息
GHS Symbol
- H302 Harmful if swallowed 吞食有害
- S22 Do not breathe dust 不要吸入粉尘；
- S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
- S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
- R21/22 Harmful in contact with skin and if swallowed 皮肤接触和不慎吞咽有害
- R22 Harmful if swallowed 吞咽有害
- R23/24/25 Toxic by inhalation, in contact with skin and if swallowed 吸入，皮肤接触及吞食都有毒
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
- P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
- P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
- P281 Use personal protective equipment as required. 使用所需的个人防护装备。
- P301+P312+P330
- P501 Dispose of contents/container to..… 处理内容物/容器.....
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1029 mg/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Behavioral - analgesia REFERENCE : GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 26(2),55,1982
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 178 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#00302
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Unreported SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 1500 mg/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Behavioral - analgesia REFERENCE : GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 26(2),55,1982
