7-Bromo-2,3-dimethyl-1-benzothiophene

Base Information

• Chemical Name: 7-Bromo-2,3-dimethyl-1-benzothiophene
• CAS No.: 204980-74-5
• Molecular Formula: C10H9 Br S
• Molecular Weight: 241.151
• DSSTox Substance ID: DTXSID90451345
• Wikidata: Q82271323
• Mol file: 204980-74-5.mol

Synonyms:204980-74-5;7-Bromo-2,3-dimethyl-1-benzothiophene;7-Bromo-2,3-dimethyl-benzo[b]thiophene;7-bromo-2,3-dimethylbenzo[b]thiophene;DTXSID90451345;7-Bromo-2,3-dimethyl-1-benzo[b]thiophene

Chemical Property of 7-Bromo-2,3-dimethyl-1-benzothiophene

Chemical Property:

• Boiling Point: 324.7±37.0 °C(Predicted)
• PSA: 28.24000
• Density: 1.490±0.06 g/cm3(Predicted)
• LogP: 4.28060
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 239.96083
• Heavy Atom Count: 12
• Complexity: 171

Purity/Quality:

99.0%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(SC2=C1C=CC=C2Br)C

Technology Process of 7-Bromo-2,3-dimethyl-1-benzothiophene

There total 2 articles about 7-Bromo-2,3-dimethyl-1-benzothiophene 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: 100.0%

3-(2-bromo-phenylsulfanyl)-butan-2-one (204980-73-4) → 7-bromo-2,3-dimethylbenzo[b]thiophene (204980-74-5)

Guidance literature:

With PPA; at 150 ℃; for 1h;

DOI:10.1002/1099-0690(200208)2002:15<2524::AID-EJOC2524>3.0.CO;2-W

Reference yield:

o-bromothiophenol (6320-02-1) → 7-bromo-2,3-dimethylbenzo[b]thiophene (204980-74-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 75 percent / NaOH / H₂O / 0.5 h / 20 °C

2: 100 percent / polyphosphoric acid / 1 h / 150 °C

With sodium hydroxide; PPA; In water;

DOI:10.1002/1099-0690(200208)2002:15<2524::AID-EJOC2524>3.0.CO;2-W

Reference yield: 80.0%

3,4-dimethoxyaniline (6315-89-5) + 7-bromo-2,3-dimethylbenzo[b]thiophene (204980-74-5) → C18H19NO2S

Guidance literature:

With caesium carbonate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; palladium diacetate; In toluene; at 100 ℃; for 22h;

DOI:10.1016/j.bmc.2006.11.035

upstream raw materials:

3-(2-bromo-phenylsulfanyl)-butan-2-one

o-bromothiophenol

Downstream raw materials:

7-boronic-2,3-dimethylbenzo[b]thiophene acid

benzhydrylidene-(2,3-dimethyl-benzo[b]thiophen-7-yl)-amine

Refernces