7-Bromo-2-methylbenzo[b]thiophene

Base Information

• Chemical Name: 7-Bromo-2-methylbenzo[b]thiophene
• CAS No.: 75288-49-2
• Molecular Formula: C₉H₇BrS
• Molecular Weight: 227.125
• Hs Code.: 2934999090
• European Community (EC) Number: 830-283-3
• DSSTox Substance ID: DTXSID00504755
• Wikidata: Q82359487
• Mol file: 75288-49-2.mol

Synonyms:7-Bromo-2-methylbenzo[b]thiophene;75288-49-2;7-Bromo-2-methyl-1-benzothiophene;1-Bromo-2-methylbenzo[b]thiophene;Benzo[b]thiophene,7-bromo-2-methyl-;SCHEMBL2428854;DTXSID00504755;TQP1608;XFHOPSWPWLPVBF-UHFFFAOYSA-N;7-bromo-2-methyl-benzo[b]thiophene;MFCD08706243;AS-77013;CS-0152927;D94807;EN300-108053;Z1269210790

Chemical Property of 7-Bromo-2-methylbenzo[b]thiophene

Chemical Property:

• PSA: 28.24000
• LogP: 3.97220
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 225.94518
• Heavy Atom Count: 11
• Complexity: 149

Purity/Quality:

95% ^*data from raw suppliers

7-Bromo-2-methylbenzo[b]thiophene 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(S1)C(=CC=C2)Br

Technology Process of 7-Bromo-2-methylbenzo[b]thiophene

There total 2 articles about 7-Bromo-2-methylbenzo[b]thiophene 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:

o-bromothiophenol (6320-02-1) → 7-bromo-2-methylbenzothiophen (75288-49-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 28.2 g / potassium carbonate / acetone / 15 h / Heating

2: 8.8 g / N,N-diethylaniline / 24 h / Heating

With potassium carbonate; N,N-diethylaniline; In acetone;

Reference yield:

2-chloroprop-2-enyl 2-bromophenyl sulphide (75288-48-1) → 7-bromo-2-methylbenzothiophen (75288-49-2)

Guidance literature:

With N,N-diethylaniline; for 24h; Heating;

Reference yield:

7-bromo-2-methylbenzothiophen (75288-49-2) → 2-methyl-7-(2-p-toluenesulphonylethyl)benzothiophen (75288-52-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) Mg, MeI / 1.) ether, 45 min, 2.) ether, 1 h, benzene, reflux, 30 min

2: 1.9 g / pyridine / 36 h / 0 °C

With magnesium; methyl iodide; In pyridine;

upstream raw materials:

2-chloroprop-2-enyl 2-bromophenyl sulphide

o-bromothiophenol

Downstream raw materials:

2-methyl-7-(2-p-toluenesulphonylethyl)benzothiophen

2-methyl-7-(3-p-toluenesulphonylpropyl)benzothiophen

7-(chloromethyl)-2-methylbenzo[b]thiophene

Refernces