(3-Bromophenyl)(2,2-dimethoxyethyl)sulfane

Base Information

• Chemical Name: (3-Bromophenyl)(2,2-dimethoxyethyl)sulfane
• CAS No.: 19296-69-6
• Molecular Formula: C10H13 Br O2 S
• Molecular Weight: 277.182
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID90594948
• Wikidata: Q82489878
• Mol file: 19296-69-6.mol

Synonyms:19296-69-6;(3-bromophenyl)(2,2-dimethoxyethyl)sulfane;1-BROMO-3-(2,2-DIMETHOXY-ETHYLSULFANYL)-BENZENE;1-bromo-3-(2,2-dimethoxyethylsulfanyl)benzene;1-Bromo-3-[(2,2-dimethoxyethyl)sulfanyl]benzene;SCHEMBL3969030;DTXSID90594948;ACJCUYKHLMPMFM-UHFFFAOYSA-N;AKOS015152604;DB-363407;CS-0302159;(3-Bromophenyl)-(2,2-dimethoxyethyl)sulfane;1-bromo-3-((2,2-dimethoxyethyl)thio)benzene;EN300-395082;1-bromo-3-(2,2-dimethoxy-ethylsulphanyl)-benzene

Chemical Property of (3-Bromophenyl)(2,2-dimethoxyethyl)sulfane

Chemical Property:

• PSA: 43.76000
• LogP: 3.16010
• Storage Temp.: 2-8°C
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 275.98196
• Heavy Atom Count: 14
• Complexity: 153

Purity/Quality:

97% ^*data from raw suppliers

(3-Bromophenyl)(2,2-dimethoxyethyl)sulfane 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(CSC1=CC(=CC=C1)Br)OC

Technology Process of (3-Bromophenyl)(2,2-dimethoxyethyl)sulfane

There total 3 articles about (3-Bromophenyl)(2,2-dimethoxyethyl)sulfane which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 95.0%

1-bromo-2,2-dimethoxyethane (7252-83-7) → 1-bromo-3-[(2,2-dimethoxyethyl)sulfanyl]benzene (19296-69-6)

Guidance literature:

3-Bromothiophenol; With sodium hydride; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 0.5h;

1-bromo-2,2-dimethoxyethane; In N,N-dimethyl-formamide; at 20 ℃; for 2h; Product distribution / selectivity;

Reference yield: 89.0%

1-bromo-2,2-dimethoxyethane (7252-83-7) + 3-Bromothiophenol (6320-01-0) → 1-bromo-3-[(2,2-dimethoxyethyl)sulfanyl]benzene (19296-69-6)

Guidance literature:

With potassium hydroxide; In water; dimethyl sulfoxide;

Reference yield:

→ 1-bromo-3-[(2,2-dimethoxyethyl)sulfanyl]benzene (19296-69-6)

Guidance literature:

m-Bromphenol, β-Bromdimethoxyacetal / EtOH, Na;

upstream raw materials:

1-bromo-2,2-dimethoxyethane

3-Bromothiophenol

Downstream raw materials:

4-bromobenzo[b]thiophene

benzo[b]thiophene-6-carbonitrile

6-bromobenzothiophene

6-bromobenzothiophene-3-carboxylic acid