2,3,4-Tribromo-5-methylthiophene

Base Information

• Chemical Name: 2,3,4-Tribromo-5-methylthiophene
• CAS No.: 30319-06-3
• Molecular Formula: C5H3 Br3 S
• Molecular Weight: 334.85
• DSSTox Substance ID: DTXSID70564523
• Nikkaji Number: J303.701K
• Wikidata: Q82449235
• Mol file: 30319-06-3.mol

Synonyms:2,3,4-TRIBROMO-5-METHYLTHIOPHENE;30319-06-3;Thiophene, 2,3,4-tribromo-5-methyl-;SCHEMBL9178025;DTXSID70564523;2-Methyl-3,4,5-tribromthiophen;VRKDJTNDMUBTKW-UHFFFAOYSA-N;2-methyl-3,4,5-tribromothiophene

Chemical Property of 2,3,4-Tribromo-5-methylthiophene

Chemical Property:

• Melting Point: 86 °C
• Boiling Point: 293.2±35.0 °C(Predicted)
• PSA: 28.24000
• Density: 2.329±0.06 g/cm3(Predicted)
• LogP: 4.34400
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 333.74851
• Heavy Atom Count: 9
• Complexity: 108

Purity/Quality:

99% ^*data from raw suppliers

2,3,4-TRIBROMO-5-METHYLTHIOPHENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C(S1)Br)Br)Br

Technology Process of 2,3,4-Tribromo-5-methylthiophene

There total 4 articles about 2,3,4-Tribromo-5-methylthiophene 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%

Tetrabromothiophene (3958-03-0) + Methyl benzenesulfonate (80-18-2) → 2,3,4-tribromo-5-methylthiophene (30319-06-3)

Guidance literature:

Tetrabromothiophene; With n-butyllithium; In tetrahydrofuran; at 0 ℃;

Methyl benzenesulfonate; In tetrahydrofuran; at 20 ℃;

DOI:10.1016/j.bmcl.2012.04.057

Reference yield: 55.0%

2-Methylthiophene (554-14-3) → 2,3,4-tribromo-5-methylthiophene (30319-06-3)

Guidance literature:

With benzyltrimethylazanium tribroman-2-uide; zinc(II) chloride; In acetic acid; for 15h; Ambient temperature;

DOI:10.1246/bcsj.64.2566

Reference yield:

2-Methylthiophene (554-14-3) → 2,3,4-tribromo-5-methylthiophene (30319-06-3)

Guidance literature:

With carbon dioxide; bromine; im Sonnenlicht;

upstream raw materials:

2-Methylthiophene

Tetrabromothiophene

Methyl benzenesulfonate

Refernces

• 1、 Deng, Huayun,Hu, Jieyu,Hu, Haibei,He, Mingqian,Fang, Ye. "Thieno[3,2-b]thiophene-2-carboxylic acid derivatives as GPR35 agonists". scheme or table. p. 4148 - 4152. Retrieved 2012/07/03.
• 2、 Inaoka, Seiji,Collard, David M.. "Synthesis, polymerization and characterization of substituted dithieno [3,4-b: 3',4'-d] thiophenes". . p. 1719 - 1725. Retrieved 2007/10/03.