2-Methylindole 2-甲基吲哚
CAS 95-20-5 MFCD00005616
化学结构图
SMILES: Cc1cc2ccccc2[nH]1
化学属性
| Mol. Formula | C9H9N |
|---|---|
| Mol. Weight | 131 |
| Density | 1.07 |
| Flash Point | 141°(285°F) |
| TSCA | Yes |
| Boiling Point | 273 |
| Melting Point | 57-59 |
| Stability | 对光和空气敏感 |
| Appearance | 无色针状或片状结晶。有特殊气味。 易溶于乙醇和乙醚，难溶于水。 |
别名和识别编码
| Chemical Name | 2-Methylindole |
|---|---|
| CAS Number | 95-20-5 |
| Alfabeta Name | METHYLINDOLE 2- |
| MDL Number | MFCD00005616 |
| EC Number | 202-398-3 |
| Beilstein Registry Number | 109781 |
| Synonym | -Methyl-1H-indole 2-METHYL-1H-INDOLE 2-METHYLINDOLE 2-甲基-1H-吲哚 2-甲基吲哚 Methylketole 甲基?? |
| PubChem Substance ID | 87572416 |
| Chemical Name Translation | 2-甲基吲哚 |
| Reaxys-RN | 109781 |
| LabNetwork Molecule ID | LN00173989 |
| InChI | InChI=1S/C9H9N/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6,10H,1H3 |
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分类
- {SNA} Building Blocks, C7 to C9, Chemical Synthesis, Heterocyclic Building Blocks, Indoles
产品应用
- 用于丙二醛、乙二醛和甲基乙二醛等的分析。有机合成。香料工业的定香剂。
相关文献及参考
- An alternative approach to functionalization of the 2-methyl group involves low-temperature N-lithiation followed by reaction with dimethyl carbonate to give the 1-methoxycarbonyl derivative. NBS ɑ-bromination then allows nucleophilic substitution to give a variety of 2-substituted indoles: Synthesis, 743 (1992).
- Can be dimetallated using the n-BuLi/KO-t-Bu system. Reaction with electrophiles (methyl iodide, benzophenone, t-butyl isocyanate) then occurs preferentially at the more reactive methyl position: J. Chem. Soc., Perkin 1, 179 (1990).
- Undergoes a mild, selective C-3 reductive alkylation in the presence of Triethylsilane, A10320, and TFA; e.g. with benzaldehyde, the 3-benzyl derivative is formed in 88% yield: Tetrahedron Lett., 34, 1529 (1993).
- Beilstein:20,311
安全信息
GHS Symbol
- S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
- S36 Wear suitable protective clothing 穿戴适当的防护服；
- S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
- R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
- 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。
- P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
- P301+P312+P330
- P305+P351+P338
- P501 Dispose of contents/container to..… 处理内容物/容器.....
- H302 Harmful if swallowed 吞食有害
- H318 Causes serious eye damage 严重伤害眼睛
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : >262 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : YKKZAJ Yakugaku Zasshi. Journal of Pharmacy. (Nippon Yakugakkai, 2-12-15 Shibuya, Shibuya-ku, Tokyo 150, Japan) No.1- 1881- Volume(issue)/page/year: 94,1620,1974
其他信息
- Sigma Aldrich:95-20-5(sigmaaldrich)
- 方法一:由N-乙酰邻甲苯胺经下述步骤制得。将N-乙酰邻甲苯胺加入无水乙醚和氨基钠的混合物中，在氮气流保护下加热升温至240-260℃，保持10min，反应产生大量气体，至气体停止逸出则反应结束，冷却。加入乙醇和温水，加热使生成的2-甲基吲哚的钠衍生物及过量的氨基钠分解。冷却后，用乙醚萃取。萃取液浓缩后进行蒸馏，收集119-126℃（0.4-0.53kPa）馏分，得2-甲基吲哚，收率80%-83%。该品可用甲醇重结晶提纯。
- TCI Shanghai:2-甲基吲哚 2-Methylindole,>;99.0%(GC)(95-20-5)
- MOL 文件:95-20-5.mol
- 用途四:用于丙二醛、乙二醛和甲基乙二醛等的分析。有机合成。香料工业的定香剂。
- MSDS 信息:2-Methylindole(95-20-5).msds
- 下游产品:DL-色氨酸 --> 阿西美辛 --> 碱性橙21 --> 2-甲基吲哚啉
- 有特殊气味。对光和空气敏感。能随水蒸气挥发。易溶于甲醇、苯、乙醇、乙醚和丙酮，不溶于热水。有刺激性。
- 上游原料:乙醚 --> 氨基钠 --> 2-甲基乙酰苯胺
- 用途一:用作有机合成试剂，染料中间体
- 用途三:用于有机合成，可作香料工业的定香剂。
- 海关编码:29339990
- F:8-10-13-23
- 2-甲基吲哚价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M0346 2-甲基吲哚 2-Methylindole 500G 1520元 2014/06/02 M0346 2-甲基吲哚 2-Methylindole 25G 286元 2010/06/21 127025000 2-甲基吲哚 2-Methylindole 98% 500 GR 1771元
- 用途二:用作有机分析试剂及定香剂
- Alfa Aesar:2-甲基吲哚,98+% 2-Methylindole, 98+%(95-20-5)
- 检测方法:HPLC,NMR
- 图谱信息:2-甲基吲哚(95-20-5)红外图谱(IR1) 2-甲基吲哚(95-20-5)核磁图( 13 CNMR) 2-甲基吲哚(95-20-5)核磁图( 1 HNMR) 2-甲基吲哚(95-20-5)质谱(MS)
- Acros Organics:2-甲基吲哚 2-Methylindole, 98%(95-20-5)
- 敏感性:Light Sensitive
