2-[4-(Bromomethyl)phenyl]thiophene

Base Information

• Chemical Name: 2-[4-(Bromomethyl)phenyl]thiophene
• CAS No.: 81443-46-1
• Molecular Formula: C11H9 Br S
• Molecular Weight: 253.162
• Hs Code.: 2934999090
• European Community (EC) Number: 834-206-4
• DSSTox Substance ID: DTXSID20383600
• Wikidata: Q82175385
• Mol file: 81443-46-1.mol

Synonyms:2-[4-(bromomethyl)phenyl]thiophene;81443-46-1;2-(4-(Bromomethyl)phenyl)thiophene;MFCD06659060;C11H9BrS;Thiophene, 2-[4-(bromomethyl)phenyl]-;SCHEMBL1437852;4-(thiophen-2-yl)benzylbromide;DTXSID20383600;ZHUUJVAVOVMLCK-UHFFFAOYSA-N;AMY32406;AS-47991;SY261765;CS-0237215;FT-0765354;EN300-180166;F17489;A864551;J-507653

Chemical Property of 2-[4-(Bromomethyl)phenyl]thiophene

Chemical Property:

• Vapor Pressure: 0.000318mmHg at 25°C
• Melting Point: 83-84.5oC
• Boiling Point: 330.5oC at 760 mmHg
• Flash Point: 153.7oC
• PSA: 28.24000
• Density: 1.457g/cm3
• LogP: 4.31000
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 251.96083
• Heavy Atom Count: 13
• Complexity: 152

Purity/Quality:

97% ^*data from raw suppliers

2-(4-(Bromomethyl)phenyl)thiophene 95+% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CSC(=C1)C2=CC=C(C=C2)CBr

Technology Process of 2-[4-(Bromomethyl)phenyl]thiophene

There total 3 articles about 2-[4-(Bromomethyl)phenyl]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: 72.0%

tert-butyldimethyl[(4-thien-2-ylbenzyl)oxy]silane (803730-88-3) → 2-(4-Bromomethylphenyl)thiophene (81443-46-1)

Guidance literature:

With hydrogen bromide; In acetic acid; at 5 ℃; for 1h;

DOI:10.1055/s-2004-831163

Reference yield:

4-(tert-butyldimethylsiloxymethyl)bromobenzene (87736-74-1) → 2-(4-Bromomethylphenyl)thiophene (81443-46-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: Mg / tetrahydrofuran

1.2: 66 percent / Ni(dppp)Cl₂

2.1: 72 percent / HBr / acetic acid / 1 h / 5 °C

With hydrogen bromide; magnesium; In tetrahydrofuran; acetic acid;

DOI:10.1055/s-2004-831163

Reference yield:

→ 2-(4-Bromomethylphenyl)thiophene (81443-46-1)

Guidance literature:

upstream raw materials:

tert-butyldimethyl[(4-thien-2-ylbenzyl)oxy]silane

4-(tert-butyldimethylsiloxymethyl)bromobenzene

Downstream raw materials:

Triethyl 2-(4-(thiophen-2-yl)phenyl)ethane-1,1,1-tricarboxylate

N,N-Bis(4-(thiophen-2-yl)benzyl)-1H-benzo[d]imidazol-5-amine

4-methyl-7-(4-(thiophen-2-yl)benzyloxy)-2H-chromen-2-one