Introduction：Basic information about 4-(Methylthio)phenol CAS 1073-72-9, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
4-(Methylthio)phenol Basic information
| Product Name: | 4-(Methylthio)phenol |
| Synonyms: | 4-(Methylmercapto)phenol 98%;Phenol, 4-(methylthio)-;4-(Methylsulfanyl)phenol;4-(methylthio)-pheno;4-Hydroxyphenyl methyl sulfide;MethylMercapto)pheno;Methyl 4-hydroxyphenyl sulfide;FEXI-003 |
| CAS: | 1073-72-9 |
| MF: | C7H8OS |
| MW: | 140.2 |
| EINECS: | 214-031-4 |
| Product Categories: | Protection & Derivatization Reagents (for Synthesis);Synthetic Organic Chemistry;Phenoles and thiophenoles;1073-72-9 |
| Mol File: | 1073-72-9.mol |
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4-(Methylthio)phenol Chemical Properties
| Melting point | 84-86 (lit.) |
| Boiling point | 153-156 °C/20 mmHg (lit.) |
| density | 1.1182 (rough estimate) |
| refractive index | 1.5530 (estimate) |
| Fp | 153-156°C/20mm |
| storage temp. | Inert atmosphere,Room Temperature |
| solubility | soluble in Chloroform, Methanol |
| form | Powder or Crystalline Powder |
| pka | 9.53(at 25℃) |
| color | White to pale brown |
| Water Solubility | Soluble in water 9.59 g/ l. |
| InChI | 1S/C7H8OS/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3 |
| InChIKey | QASBCTGZKABPKX-UHFFFAOYSA-N |
| SMILES | CSc1ccc(O)cc1 |
| LogP | 1.780 |
| CAS DataBase Reference | 1073-72-9(CAS DataBase Reference) |
| NIST Chemistry Reference | Phenol, 4-(methylthio)-(1073-72-9) |
| EPA Substance Registry System | Phenol, 4-(methylthio)- (1073-72-9) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36-37 |
| RIDADR | UN 3335 |
| WGK Germany | 3 |
| RTECS | SM1578500 |
| TSCA | TSCA listed |
| HazardClass | STENCH |
| HS Code | 29309090 |
| Storage Class | 11 - Combustible Solids |
4-(Methylthio)phenol Usage And Synthesis
| Chemical Properties | White solid |
| Uses | 4-(Methylmercapto)phenol [4-(Methylthio)phenol] may be used in the preparation of phosphoramidodithioate intermediates for the synthesis of sulprofos amidate. |
| Definition | ChEBI: 4-(methylsulfanyl)phenol is an aryl sulfide and a member of phenols. |
| General Description | 4-(Methylmercapto)phenol (4MP) mediates the removal of benzyloxycarbonyl and O-benzyl protecting groups by accepting the benzyl groups during the acidolytic cleavage with trifluoroacetic acid. The presence of hydroxyl group in the para position enhances the rate of hydrodesulfurization (HDS) of 4MP. |
| Synthesis | 4-Methylthiobenzeneboronic acid (0.3 mmol,1.0equiv) was added to a dried 20 mL quartz test tube and the quartz test tube was evacuated while backfilled with oxygen three times. Under oxygen conditions, Et3N (62.5 L,0.45 mmol,1.5equiv) and 2-methyltetrahydrofuran (4 ml) were added sequentially via syringe. The resulting mixture was stirred for 5 min and then the quartz test tube was transferred to a photoreactor. The test tube was placed about 2 cm from a 15 W UV lamp. The reaction mixture was stirred and photoreacted for 24 h. After the indicated time, the crude product was diluted with ethyl acetate, filtered through a pad of silica gel and concentrated under reduced pressure. The desired product was then obtained by direct silica gel rapid chromatography using silica gel (EtOAc/PE = 1/10). |
4-(Methylthio)phenol Preparation Products And Raw materials
| Raw materials | Dimethyl disulfide |
| Preparation Products | 4-(Methylsulfonyl)phenol-->S-METHYL-S-(4-HYDROXYPHENYL) SULFOXIMINE-->SULPROFOS-->4-(METHYLSULFINYL)PHENOL-->4-Hydroxyphenylboronic acid pinacol ester-->4-(METHANESULFINYL)BENZENEBORONIC ACID-->2-hydroxy-5-(methylthio)benzaldehyde-->4,4′-dihydroxydiphenyl disulfide-->2-HYDROXYTHIOANISOLE-->C.I. Disperse Red 132-->3-[4-(Methylthio)phenoxy]propionic Acid-->(p-hydroxyphenyl)dimethylsulphonium chloride |
