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548715

Sigma-Aldrich

4-tert-Butylbenzyl mercaptan

Sinônimo(s):

4-tert-Butylbenzenemethanethiol, 4-tert-Butylbenzylthiol, 4-tert-Butylphenylmethanethiol, p-tert-Butylbenzenemethanethiol, p-tert-Butylbenzyl mercaptan

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About This Item

Fórmula linear:
(CH3)3CC6H4CH2SH
Número CAS:
49543-63-7
Peso molecular:
180.31
Número MDL:
MFCD00068220
Código UNSPSC:
12352100
ID de substância PubChem:
24879053
NACRES:
NA.22

índice de refração

n20/D 1.5430 (lit.)

Nível de qualidade

100

p.e.

102-103 °C/3.1 mmHg (lit.)

densidade

0.966 g/mL at 25 °C (lit.)

grupo funcional

thiol

cadeia de caracteres SMILES

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

chave InChI

UIYKSYBJKIMANV-UHFFFAOYSA-N

Descrição geral

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

Aplicação

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

Pictogramas

Exclamation mark
GHS07

Palavra indicadora

Warning

Frases de perigo

H315,H319,H335

Classificações de perigo

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Órgãos-alvo

Respiratory system

Código de classe de armazenamento

10 - Combustible liquids

Classe de risco de água (WGK)

WGK 3

Ponto de fulgor (°F)

162.0 °F - closed cup

Ponto de fulgor (°C)

72.2 °C - closed cup

Equipamento de proteção individual

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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Certificados de análise (COA)

Lot/Batch Number
06224CJ
17821BO

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Hanh Nho Nguyen et al.
Bioorganic & medicinal chemistry letters, 22(2), 1055-1060 (2012-01-03)
Clinical genetic data have shown that the product of the SCN9A gene, voltage-gated sodium ion channel Nav1.7, is a key control point for pain perception and a possible target for a next generation of analgesics. Sodium channels, however, historically have
Synthesis of atomically precise silver clusters by using the miscibility principle.
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European Journal of Organic Chemistry, 2014(31), 5271-5275 (2014)
Luminescent AgAu Alloy Clusters Derived from Ag Nanoparticles-Manifestations of Tunable AuI-CuI Metallophilic Interactions.
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C K Manju et al.
Dalton transactions (Cambridge, England : 2003), 48(24), 8664-8670 (2019-05-29)
Recent reports have shown that the intercluster reaction is a new synthetic strategy to prepare alloy clusters. In this work, we performed an intercluster reaction between silver clusters and produced highly ionizable Ag-S-type clusters; we examined their formation by mass
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