548715

4-tert-Butylbenzyl mercaptan

• Synonym(s): 4-tert-Butylbenzenemethanethiol, 4-tert-Butylbenzylthiol, 4-tert-Butylphenylmethanethiol, p-tert-Butylbenzenemethanethiol, p-tert-Butylbenzyl mercaptan
• Linear Formula: (CH₃)₃CC₆H₄CH₂SH
• CAS Number: 49543-63-7
• Molecular Weight: 180.31
• MDL number: MFCD00068220
• UNSPSC Code: 12352100
• PubChem Substance ID: 24879053
• NACRES: NA.22

Properties

• refractive index: n20/D 1.5430 (lit.)
• bp: 102-103 °C/3.1 mmHg (lit.)
• density: 0.966 g/mL at 25 °C (lit.)
• SMILES string: CC(C)(C)c1ccc(CS)cc1
• InChI: 1S/C11H16S/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7,12H,8H2,1-3H3
• InChI key: UIYKSYBJKIMANV-UHFFFAOYSA-N

Description

General description

4-tert-Butylbenzyl mercaptan is a benzyl mercaptan derivative that is commonly used as a ligand for synthesizing metal clusters.

Application

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, atomically precise array of silver clusters via a novel approach based on the miscibility principle while avoiding the use of phase-transfer agents.

Reactant for:

• Stereoselective thiourea-catalyzed sulfa-Michael addition
• Nucleophilic substitution reactions
• Urea-catalyzed trans-thioesterification
• Sc-catalyzed Michael addition
• Copper-catalyzed decarboxylative cross-coupling

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H315,H319,H335
• Precautionary Statements: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 3
• Flash Point(F): 162.0 °F - closed cup
• Flash Point(C): 72.2 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves