2-Bromo-4-methylthiophene

Base Information

• Chemical Name: 2-Bromo-4-methylthiophene
• CAS No.: 53119-60-1
• Molecular Formula: C5H5BrS
• Molecular Weight: 177.065
• Hs Code.: 2934999090
• European Community (EC) Number: 803-744-1
• DSSTox Substance ID: DTXSID90550362
• Nikkaji Number: J1.967.757E
• Wikidata: Q82429665
• Mol file: 53119-60-1.mol

Synonyms:2-Bromo-4-methylthiophene;53119-60-1;MFCD12033287;SCHEMBL1636901;DTXSID90550362;AKOS015943800;B4273;EN300-100305

Chemical Property of 2-Bromo-4-methylthiophene

Chemical Property:

• Refractive Index: 1.5650 to 1.5690
• Boiling Point: 62°C/10mmHg(lit.)
• PSA: 28.24000
• Density: 1.589±0.06 g/cm3(Predicted)
• LogP: 2.81900
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 175.92953
• Heavy Atom Count: 7
• Complexity: 65.1

Purity/Quality:

98%Min ^*data from raw suppliers

2-Bromo-4-methylthiophene >95.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CSC(=C1)Br

Technology Process of 2-Bromo-4-methylthiophene

There total 2 articles about 2-Bromo-4-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:

3-Methylthiophene (616-44-4,84928-92-7) → 2-bromo-4-methylthiophene (53119-60-1)

Guidance literature:

With n-butyllithium; carbon tetrabromide; N,N,N,N,-tetramethylethylenediamine; Yield given. Multistep reaction; 1.) hexane, ether, reflux, 30 min, 2.) hexane, ether, -70 deg C;

DOI:10.1039/P29820000625

Reference yield:

→ 2-bromo-4-methylthiophene (53119-60-1)

Guidance literature:

entspr. Thiophenderivat, 1)BuLi,2)HCl;

Reference yield: 100.0%

2-bromo-4-methylthiophene (53119-60-1) + 2-(allyloxy)-3,4-difluorobenzaldehyde → C15H14F2O2S

Guidance literature:

2-bromo-4-methylthiophene; With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 0.5h;

2-(allyloxy)-3,4-difluorobenzaldehyde; In tetrahydrofuran; at -78 ℃; for 0.5h;

upstream raw materials:

3-Methylthiophene

Downstream raw materials:

4,4'-dimethyl-5,5'-dinitro-2,2'-bithienyl

2-bromo-4-methyl-5-nitrothiophene

4,4,5,5-tetramethyl-2-(4-methylthiophen-2-yl)[1,3,2]dioxaborolane

2,4-dimethylthiophene

Refernces

• 1、 Consiglio, Giovanni,Spinelli, Domenico,Gronowitz, Salo,Hoernfeldt, Anna-Britta,Maltesson, Britta,Noto, Renato. "Kinetics of the Reactions of Some 5-Bromo-2-nitro-3-R-thiophens, 3,4-dibromo-2-nitro-5-R-thiophens, 3-Bromo-2-nitro-5-R-thiophens, and 2-Bromo-3-nitro-5-R-thiophens with Nucleophiles in Methanol". . p. 625 - 630. Retrieved 2007/10/02.