产品说明
一般描述
4′-(Methylthio)acetophenone (4-(Methylthio)acetophenone, p-(methylthio) acetophenone, 4-MTAP) is a sulphur containing organic building block. It is a key intermediate in drug synthesis. Its industrial preparation, via Friedel-Crafts acylation reaction in the presence of aluminium chloride as catalyst and acetyl chloride as acylating agent has been reported. It has been prepared by the acetylation reaction of thioanisole with acetic anhydride in the presence of solid acid catalyst.
应用
4′-(Methylthio)acetophenone may be used for the synthesis of Vioxx (Rofecoxib), an non-steroidal anti-inflammatory drug (NSAID). It may be used in the synthesis of (E)-1-[4-(methylsulfanyl)phenyl]-3-phenylprop-2-en-1-one.
包装
1 g in glass bottle
基本信息
| 线性分子式 | CH3SC6H4COCH3 |
| 分子量 | 166.24 |
| EC 号 | 217-213-1 |
| MDL编号 | MFCD00039835 |
| PubChem化学物质编号 | 24864677 |
| NACRES | NA.22 |
产品性质
| 质量水平 | 100 |
| 测定 | 97% |
| mp | 80-82 ℃ (lit.) |
| SMILES string | CSc1ccc(cc1)C(C)=O |
| InChI | 1S/C9H10OS/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H3 |
| InChI key | JECUZQLBQKNEMW-UHFFFAOYSA-N |
安全信息
| 象形图 |  |
| 警示用语： | Warning |
| 危险声明 | H315 - H319 - H335 |
| 预防措施声明 | P302 + P352 - P305 + P351 + P338 |
| 危险分类 | Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3 |
| 靶器官 | Respiratory system |
| 储存分类代码 | 11 - Combustible Solids |
| WGK | WGK 3 |
| 闪点(F) | Not applicable |
| 闪点(C) | Not applicable |
| 个人防护装备 | dust mask type N95 (US), Eyeshields, Gloves |
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