FEXI-003
p-Methyl Thiophenol
CAS: 1073-72-9
Molecular Formula: C7H8OS
FEXI-003 - Names and Identifiers
| Name | p-Methyl Thiophenol |
| Synonyms | FEXI-003 p-Methyl Thiophenol 4-(Methylthio)phenol MethylMercapto)pheno 4-(methylthio)-pheno p-Hydroxy Thioanisole 3-Acetamide Thioanisole Phenol, 4-(methylthio)- 4-(methylsulfanyl)phenol 4-(Methylsulfanyl)phenol 4-(Methylmercapto)phenol Methyl 4-hydroxyphenyl sulfide 4-Hydroxyphenyl methyl sulfide |
| CAS | 1073-72-9 |
| EINECS | 214-031-4 |
| InChI | InChI=1/C7H8OS/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3 |
FEXI-003 - Physico-chemical Properties
| Molecular Formula | C7H8OS |
| Molar Mass | 140.2 |
| Density | 1.1182 (rough estimate) |
| Melting Point | 84-86 (lit.) |
| Boling Point | 153-156 °C/20 mmHg (lit.) |
| Flash Point | 153-156°C/20mm |
| Water Solubility | Soluble in water 9.59 g/ l. |
| Vapor Presure | 0.00432mmHg at 25°C |
| Appearance | Crystallization |
| Color | White to pale brown |
| pKa | 9.53(at 25℃) |
| Storage Condition | Inert atmosphere,Room Temperature |
| Refractive Index | 1.5530 (estimate) |
| MDL | MFCD00002351 |
| Physical and Chemical Properties | This product is white or white crystalline powder, insoluble in water, soluble in methanol, ethanol, easy oxidation in the air, a special odor. |
| Use | Used as an intermediate in organic synthesis |
FEXI-003 - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S37 - Wear suitable gloves. |
| UN IDs | UN 3335 |
| WGK Germany | 3 |
| RTECS | SM1578500 |
| TSCA | Yes |
| HS Code | 29309090 |
| Hazard Class | STENCH |
FEXI-003 - Introduction
Insoluble in water, soluble in methanol and ethanol, easy to oxidize in the air, with a special smell.
Last Update：2022-10-16 17:11:53
FEXI-003 - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| introduction | 4-(methylthio) phenol is a phenol derivative. Phenols and their derivatives are important compounds because they are structural units of many natural products, bioactive compounds and general synthetic intermediates. Therefore, the synthesis of phenols and their derivatives has attracted extensive attention. Hydroxylation of arylboronic acid is one of the most effective methods for the synthesis of phenolic compounds. |
| preparation | 4-methylthiophenylboronic acid (0.3mmol,1.0equiv) is added to the dried 20mL Shi Ying test tube, and the Shi Ying test tube is vacuumed and backfilled with oxygen three times. Under oxygen conditions, Et3N(62.5L,0.45mmol,1.5equiv) and 2-methyltetrahydrofuran (4ml) were added sequentially through a syringe. The resulting mixture was stirred for 5 minutes, and then the quartz tube was transferred to the photoreactor. The test tube is placed about 2cm away from the 15W UV lamp. The reaction mixture was stirred and illuminated for 24h. After the specified time, the crude product was diluted with ethyl acetate, filtered with a silicone pad, and concentrated under reduced pressure. Then the silica gel rapid chromatography was carried out directly with silica gel (EtOAc/PE = 1/10) to obtain the desired product. |
| Uses | p-methylthiophenol is an intermediate of the ternary asymmetric organophosphorus insecticide thioprid. Used as an intermediate in organic synthesis |
| Production method | The preparation method is obtained by the reaction of phenol and dimethyl disulfide. Add phenol and dimethyl disulfide to the reactor, stir and cool, add concentrated sulfuric acid dropwise, add it, stand and layer, neutralize the oil layer, wash with water, dry, and evaporate the unreacted phenol and dimethyl After disulfide, p-methylthiophenol is obtained. This product is white or white crystalline powder, insoluble in water, soluble in methanol and ethanol, easy to oxidize in the air, with a special smell. |
Last Update：2024-04-10 22:29:15
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