4-tert-Butylbenzylmercaptane
[4-(tert-butyl)phenyl]methanethiol
CAS: 49543-63-7
Molecular Formula: C11H16S
4-tert-Butylbenzylmercaptane - Names and Identifiers
4-tert-Butylbenzylmercaptane - Physico-chemical Properties
| Molecular Formula | C11H16S |
| Molar Mass | 180.31 |
| Density | 0.966 g/mL at 25 °C(lit.) |
| Boling Point | 102-103°C3.1mm Hg(lit.) |
| Flash Point | 162°F |
| Vapor Presure | 0.0251mmHg at 25°C |
| Appearance | clear liquid |
| Color | Colorless to Light yellow to Light orange |
| pKa | 9.83±0.10(Predicted) |
| Storage Condition | Room Temprature |
| Refractive Index | n20/D 1.5430(lit.) |
| MDL | MFCD00068220 |
| Physical and Chemical Properties | Density 0.966 boiling point 102-103 oC (3.1 MMHG) refractive index 1.5430 Flash Point 72 oC |
| Use | 4-tert-Butylbenzyl mercaptan (BBSH) may be used in the preparation of N-Me-aminopyrimidinone derivatives, which are potent state-dependent inhibitor of Nav1.7 (Nav= voltage-gated sodium channel). It may also be used to synthesize organic-soluble, atom |
4-tert-Butylbenzylmercaptane - 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. |
| UN IDs | UN 3334 |
| WGK Germany | 3 |
4-tert-Butylbenzylmercaptane - Reference Information
| Use | P-tert-butyl benzyl mercaptan is an intermediate for the synthesis of the acaricide pyridaben. |
| production method | the preparation method is to add 18.3g(0.1mol) of p-tert-butyl benzyl chloride, 100g of toluene, 0.5g of tetrabutylammonium bromide and 1.8g of acetic acid (0.03mol) to a four-port reaction flask with a capacity of 300mL, after heating to 50 ℃, 31.7g(0.13mol) of 23% sodium hydrosulfide aqueous solution is added dropwise under stirring. After 30min dropwise addition is completed, the stirring reaction is continued at 50 ℃ for 30min, the reaction is cooled to room temperature, the toluene layer is layered after standing, the toluene layer is washed with water, the toluene is evaporated, and 18.0g of p-tert-butyl benzyl mercaptan with light yellow appearance is obtained by concentration, the purity is 93%, and the synthesis yield is 92%. If the distillation is carried out and the fraction with boiling range of 90~92 ℃/532Pa is collected, the purity of p-tert-butyl benzyl mercaptan can reach 99%. The pure p-tert-butyl benzyl mercaptan is a colorless and transparent liquid with a mercaptan odor, miscible with most organic solvents, and the content of industrial products is 95%. |
Last Update：2024-04-10 22:29:15
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View History
4-tert-Butylbenzylmercaptane
1-(7-chloro-6-nitro-3,4-dihydroisoquinolin-2(1H)-yl)-2,2,2-trifluoroethanone
7-CHLORO-2-(4-CYANO-BENZYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID HYDROCHLORIDE
(2R,3S)-5,7-bis(benzyloxy)-2-(3,4-bis(benzyloxy)phenyl)chroman-3-yl palmitate
1H-Pyrazole-3-carboxylicacid,5-(phenylamino)-(9CI)
17050-09-8
2-(1,3-diphenyl-1H-pyrazol-4-yl)-3-phenyl-1,3-thiazolidin-4-one
6-(3,4-dimethoxybenzyl)-3-(4-fluorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
tarquinor
(1,3-dihydro-1-oxo-2h-isoindol-2-yl)-4-benzenesulfonyl chloride
1-(7-chloro-6-nitro-3,4-dihydroisoquinolin-2(1H)-yl)-2,2,2-trifluoroethanone
7-CHLORO-2-(4-CYANO-BENZYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID HYDROCHLORIDE
(2R,3S)-5,7-bis(benzyloxy)-2-(3,4-bis(benzyloxy)phenyl)chroman-3-yl palmitate
1H-Pyrazole-3-carboxylicacid,5-(phenylamino)-(9CI)
17050-09-8
2-(1,3-diphenyl-1H-pyrazol-4-yl)-3-phenyl-1,3-thiazolidin-4-one
6-(3,4-dimethoxybenzyl)-3-(4-fluorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
tarquinor
(1,3-dihydro-1-oxo-2h-isoindol-2-yl)-4-benzenesulfonyl chloride