1076-67-1

Basic information

• Product Name: 2-NAPHTHALENEMETHANETHIOL
• Synonyms: 2-NAPHTHALENEMETHANETHIOL;2-Naphthalene;1-Naphthalenemethanethiol;Naphthalen-2-ylmethanethiol
• CAS NO: 1076-67-1
• Molecular Formula: C₁₁H₁₀S
• Molecular Weight: 174.26
• Mol File: 1076-67-1.mol
• Article Data: 10

Chemical Properties

• Melting Point: 47.2-47.7 °C(Solv: ethanol (64-17-5))
• Boiling Point: 315.8°C at 760 mmHg
• Flash Point: 128.3°C
• Appearance: /
• Density: 1.132g/cm³
• Vapor Pressure: 0.000791mmHg at 25°C
• Refractive Index: 1.661
• PKA: 9.60±0.25(Predicted)
• CAS DataBase Reference: 2-NAPHTHALENEMETHANETHIOL(CAS DataBase Reference)
• NIST Chemistry Reference: 2-NAPHTHALENEMETHANETHIOL(1076-67-1)
• EPA Substance Registry System: 2-NAPHTHALENEMETHANETHIOL(1076-67-1)

Safety Data

• Hazardous Substances Data: 1076-67-1(Hazardous Substances Data)

Usage

Uses

2-Naphthalenemethanethiol is a widely used reactant and an impurity in the synthesis of N-[3-(1,2,3,6-Tetrahydro-1-methyl-d3-4-pyridinyl)-1H-indol-5-yl]-2-thiophenecarboximidamide (T293452), the labeled analogue of N-[3-(1,2,3,6-Tetrahydro-1-methyl-4-pyridinyl)-1H-indol-5-yl]-2-thiophenecarboximidamide, a neuronal nitric oxide synthase(nNOS) inhibitor.

InChI:InChI=1/C11H10S/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12H,8H2

Upstream product

• 17356-08-0 thiourea 
• 939-26-4 2-bromomethylnaphthyl bromide 
• 1081-35-2 naphthalen-2-ylmethyl carbamimidothioate monohydrobromide 
• 2506-41-4 1-chloromethylnaphthalene 
• 88766-12-5 2-naphthylmethylisothiouronium bromide 
• 335608-73-6 S--isothioharnstoff 
• 66-99-9 β-naphthaldehyde 
• 1592-38-7 2-Naphthalenemethanol 

Downstream Products

• 88766-14-7 (+/-)-2-naphthylmethyl 1-phenylethyl sulfide 
• 66-99-9 β-naphthaldehyde 
• 1322085-28-8 C₂₅H₂₄N₂O₃S 
• 1322085-26-6 {3,5-dimethyl-1-[4-(naphthalen-2-ylmethylsulfanyl)-benzyl]-1H-pyrazol-4-yl}-acetic acid 
• 1236136-46-1 4-((naphthalen-2-ylmethylthio)methyl)benzoic acid 
• 24515-49-9 2-(Iodomethyl)naphthalene 
• 939-27-5 2-ethylnaphthalene 
• 88430-90-4 (+/-)-2-naphthylmethyl 1-phenylethyl sulfone 
• 21969-45-9 1,2-bis(2-naphthyl)ethane 
• 91-57-6 2-Methylnaphthalene 
• 3042-63-5 β-(4-methylbenzyl)naphthalene 

Relevant articles and documents

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2,3,3,3-Tetrafluoropropene (HFO-1234yf) as a CF3-Building Block: Synthesis of Enol Ethers and Vinyl Sulfides

2,3,3,3-Tetrafluoropropene (HFO-1234yf) is an inexpensive and readily available fluorinated building block, owing to its growing use as a low global warming potential 4th generation refrigerant, but there have so far been few reported uses of this fluoroalkene in organic synthesis. Herein, we report our investigations into nucleophilic substitution reactions of HFO-1234yf with alkoxide and thiolate derivatives. The regiochemistry of these transformations varies with conditions and we propose these reactions proceed through addition–elimination with reversible formation of a carbanion intermediate. The regioselectivity is dictated by hard/soft nucleophile/electrophile control. This is supported by deuterium trapping of the proposed reactive intermediate. The effect of solvent and base choice was examined and the substrate scope for the synthesis of α-trifluoromethyl enol ethers was expanded.

Two-step three-component process for one-pot synthesis of 8-alkylmercaptocaffeine derivatives

A highly efficient, odourless and two-step three-component process for one-pot synthesis of some 8-alkylmercaptocaffeine derivatives has been described. The catalyst-free three-component reaction of alkyl bromides, thiourea, and 8-bromocaffeine gave 8-alkylmercaptocaffeine products in excellent to quantitative yields. In addition, the impact of parameters on sample reaction is discussed.