5-Bromo-2-methyl-thiophene-3-carboxylic acid

Base Information

• Chemical Name: 5-Bromo-2-methyl-thiophene-3-carboxylic acid
• CAS No.: 1344027-40-2
• Molecular Formula: C6H5BrO2S
• Molecular Weight: 221.075
• Mol file: 1344027-40-2.mol

Synonyms:5-Bromo-2-methyl-thiophene-3-carboxylic acid;3-Thiophenecarboxylic acid, 5-bromo-2-methyl-

Chemical Property of 5-Bromo-2-methyl-thiophene-3-carboxylic acid

Chemical Property:

• Boiling Point: 318.8±42.0 °C(Predicted)
• PKA: 4.16±0.30(Predicted)
• PSA: 65.54000
• Density: 1.784±0.06 g/cm3(Predicted)
• LogP: 2.51720
• Storage Temp.: Keep in dark place,Sealed in dry,Store in freezer, under -20°C

Purity/Quality:

97% ^*data from raw suppliers

5-Bromo-2-Methylthiophene-3-CarboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 5-Bromo-2-methyl-thiophene-3-carboxylic acid

There total 1 articles about 5-Bromo-2-methyl-thiophene-3-carboxylic acid 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: 84.0%

2-methylthiophene-3-carboxylic acid (1918-78-1) → 5-bromo-2-methylthiophene-3-carboxylic acid (1344027-40-2)

Guidance literature:

With acetic acid; pyridinium hydrobromide perbromide; at 40 ℃; for 4h; Inert atmosphere;

DOI:10.1016/j.bmc.2011.08.014

Reference yield: 83.0%

5-bromo-2-methylthiophene-3-carboxylic acid (1344027-40-2) + methoxybenzene (100-66-3) → (5-bromo-2-methylthiophen-3-yl)(4-methoxyphenyl)methanone (1344027-41-3)

Guidance literature:

5-bromo-2-methylthiophene-3-carboxylic acid; With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 20 ℃; for 2h;

methoxybenzene; With aluminum (III) chloride; In dichloromethane; at 0 - 20 ℃; for 17h;

With water; In dichloromethane; Cooling;

Reference yield:

5-bromo-2-methylthiophene-3-carboxylic acid (1344027-40-2) → 4-((5-bromo-2-methylthiophen-3-yl)methyl)phenol (1344027-44-6)

Guidance literature:

Multi-step reaction with 4 steps

1.1: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 2 h / 20 °C / Inert atmosphere

2.1: aluminum (III) chloride / dichloromethane / 17 h / 0 - 20 °C / Inert atmosphere

3.1: triethylsilane; boron trifluoride diethyl etherate / dichloromethane; acetonitrile / 15 h / 0 - 20 °C / Inert atmosphere

4.1: boron tribromide / dichloromethane / 3 h / 0 - 20 °C / Inert atmosphere

4.2: 0 °C

With triethylsilane; aluminum (III) chloride; oxalyl dichloride; boron trifluoride diethyl etherate; boron tribromide; N,N-dimethyl-formamide; In dichloromethane; acetonitrile; 2.1: Friedel-Crafts acylation;

DOI:10.1016/j.bmc.2011.08.014

upstream raw materials:

2-methylthiophene-3-carboxylic acid

Downstream raw materials:

(5-bromo-2-methylthiophen-3-yl)(4-methoxyphenyl)methanone

5-bromo-3-(4-methoxybenzyl)-2-methylthiophene

5-iodo-3-(4-methoxybenzyl)-2-methylthiophene

4-((5-bromo-2-methylthiophen-3-yl)methyl)phenol

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