3-Chloro-4-methylthiophene-2-carboxylic acid

Base Information

• Chemical Name: 3-Chloro-4-methylthiophene-2-carboxylic acid
• CAS No.: 229342-86-3
• Molecular Formula: C₆H₅ClO₂S
• Molecular Weight: 176.624
• Hs Code.: 2934999090
• European Community (EC) Number: 673-010-1
• DSSTox Substance ID: DTXSID50404938
• Wikidata: Q82209293
• Mol file: 229342-86-3.mol

Synonyms:3-chloro-4-methylthiophene-2-carboxylic acid;229342-86-3;3-Chloro-4-methyl-2-thiophenecarboxylic acid;2-Thiophenecarboxylic acid, 3-chloro-4-methyl-;3-chloranyl-4-methyl-thiophene-2-carboxylic acid;Maybridge1_003918;3-CHLORO-4-METHYL-2-THIOPHENECARBOXYLICACID;SCHEMBL3636522;HMS552K02;DTXSID50404938;LCMXOGJHXOFWNQ-UHFFFAOYSA-N;MFCD01570120;AKOS006227702;FS-1509;3-Chloro-4-methylthiophene-2-carboxylicacid;CS-0309337;FT-0615424;3-chloro-4-methyl-thiophen-2-carboxylic acid;EN300-176370;W16284;A811772;A816433;Z1198157106;3-Chloro-4-methyl-2-thiophenecarboxylic acid, AldrichCPR

Chemical Property of 3-Chloro-4-methylthiophene-2-carboxylic acid

Chemical Property:

• Vapor Pressure: 0.000558mmHg at 25°C
• Melting Point: 223-224°C
• Refractive Index: 1.606
• Boiling Point: 298.7°C at 760 mmHg
• PKA: 3.34±0.10(Predicted)
• Flash Point: 134.4°C
• PSA: 65.54000
• Density: 1.475g/cm³
• LogP: 2.40810
• Storage Temp.: 2-8°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 175.9698783
• Heavy Atom Count: 10
• Complexity: 151

Purity/Quality:

97% ^*data from raw suppliers

3-Chloro-4-methyl-2-thiophenecarboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R34:Causes burns.
• Hazard Codes: C:Corrosive
• Statements: R34:Causes burns.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39:Wear suitabl

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CSC(=C1Cl)C(=O)O

Technology Process of 3-Chloro-4-methylthiophene-2-carboxylic acid

There total 2 articles about 3-Chloro-4-methylthiophene-2-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:

3-chloro-4-methyl-2-thiophenecarboxylic acid methyl ester (175137-11-8) → 3-chloro-4-methyl-2-thiophenecarboxylic acid (229342-86-3)

Guidance literature:

With sodium hydroxide; In ethanol; water; for 0.5h; Heating;

DOI:10.1016/j.bmc.2006.12.019

Reference yield:

3-amino-4-methyl-2-thiophenecarboxylic acid methyl ester (85006-31-1) → 3-chloro-4-methyl-2-thiophenecarboxylic acid (229342-86-3)

Guidance literature:

Multi-step reaction with 2 steps

1.1: aq. HCl; NaNO₂ / H₂O / 1 h / 0 °C

1.2: aq. HCl; CuCl / H₂O / 0 - 20 °C

2.1: 1.4 g / NaOH / H₂O; ethanol / 0.5 h / Heating

With hydrogenchloride; sodium hydroxide; sodium nitrite; In ethanol; water;

DOI:10.1016/j.bmc.2006.12.019

Reference yield:

3-chloro-4-methyl-2-thiophenecarboxylic acid (229342-86-3) + 2-amino-5-chloro-N-(4-chlorophenyl)benzamide (24680-04-4) → C19H13Cl3N2O2S

Guidance literature:

With pyridine; at 0 - 20 ℃;

DOI:10.1016/j.bmc.2006.12.019

upstream raw materials:

3-chloro-4-methyl-2-thiophenecarboxylic acid methyl ester

3-amino-4-methyl-2-thiophenecarboxylic acid methyl ester

Downstream raw materials:

N-[5-({2-[(cyclopropylcarbonyl)amino][1,2,4]triazolo[1,5-a]pyridin-6-yl}oxy)-2-methylphenyl]-3-chloro-4-methylthiophene-2-carboxamide

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