1-Bromo-3-cyclopropylthiobenzene

Base Information

• Chemical Name: 1-Bromo-3-cyclopropylthiobenzene
• CAS No.: 1280786-81-3
• Molecular Formula: C9H9BrS
• Molecular Weight: 229.14
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID60682088
• Wikidata: Q82606359
• Mol file: 1280786-81-3.mol

Synonyms:1-Bromo-3-cyclopropylthiobenzene;1280786-81-3;(3-Bromophenyl)(cyclopropyl)sulfane;1-Bromo-3-(cyclopropylsulfanyl)benzene;1-bromo-3-cyclopropylsulfanylbenzene;SCHEMBL2416364;DTXSID60682088;JORAQKMAPMVMTJ-UHFFFAOYSA-N;MFCD18434448;AKOS015888453;BS-20583;F30463

Chemical Property of 1-Bromo-3-cyclopropylthiobenzene

Chemical Property:

• PSA: 25.30000
• LogP: 3.70360
• Storage Temp.: Room temperature.
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 227.96083
• Heavy Atom Count: 11
• Complexity: 134

Purity/Quality:

97% ^*data from raw suppliers

1-Bromo-3-cyclopropylthiobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1SC2=CC(=CC=C2)Br

Technology Process of 1-Bromo-3-cyclopropylthiobenzene

There total 3 articles about 1-Bromo-3-cyclopropylthiobenzene 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: 90.0%

tricyclopropylbismuthane (925430-09-7) + 3-Bromothiophenol (6320-01-0) → 1-bromo-3-(cyclopropylsulfanyl)benzene (1280786-81-3) + 1-bromo-3-[(3-bromophenyl)disulfanyl]benzene (19742-90-6)

Guidance literature:

With pyridine; copper diacetate; In dichloromethane; at 50 ℃; for 16h; Inert atmosphere; Sealed tube;

DOI:10.1016/j.jorganchem.2019.04.032

Reference yield: 66.0%

cyclopropyl bromide (4333-56-6,130561-87-4) + 3-Bromothiophenol (6320-01-0) → 1-bromo-3-(cyclopropylsulfanyl)benzene (1280786-81-3)

Guidance literature:

3-Bromothiophenol; With potassium tert-butylate; In dimethyl sulfoxide; at 0 ℃; for 0.25h; Inert atmosphere;

cyclopropyl bromide; In dimethyl sulfoxide; at 20 - 80 ℃; for 48h;

Reference yield: 45.0%

3-Bromothiophenol (6320-01-0) + cyclopropylboronic acid (411235-57-9) → 1-bromo-3-(cyclopropylsulfanyl)benzene (1280786-81-3) + 1-bromo-3-[(3-bromophenyl)disulfanyl]benzene (19742-90-6)

Guidance literature:

With [2,2]bipyridinyl; copper diacetate; caesium carbonate; In 1,2-dichloro-ethane; at 70 ℃; for 16h; Sealed tube;

DOI:10.3762/bjoc.15.113

upstream raw materials:

cyclopropyl bromide

3-Bromothiophenol

tricyclopropylbismuthane

cyclopropylboronic acid

Downstream raw materials:

1-bromo-3-(cyclopropylsulfonyl)benzene

2-(3-(cyclopropylsulfonyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane