Methyl 3-chloro-4-methylthiophene-2-carboxylate

Base Information

• Chemical Name: Methyl 3-chloro-4-methylthiophene-2-carboxylate
• CAS No.: 175137-11-8
• Molecular Formula: C₇H₇ClO₂S
• Molecular Weight: 190.65
• Hs Code.: 2934999090
• European Community (EC) Number: 673-012-2
• DSSTox Substance ID: DTXSID50380566
• Wikidata: Q82170839
• Mol file: 175137-11-8.mol

Synonyms:methyl 3-chloro-4-methylthiophene-2-carboxylate;175137-11-8;Methyl3-chloro-4-methylthiophene-2-carboxylate;Methyl 3-chloro-4-methyl-2-thiophenecarboxylate;3-chloro-4-methyl-2-thiophenecarboxylic acid methyl ester;2-Thiophenecarboxylic acid, 3-chloro-4-methyl-, methyl ester;Maybridge1_003874;SCHEMBL2987502;HMS552I02;DTXSID50380566;BUFSIDWTJVUAER-UHFFFAOYSA-N;CHEBI:194860;MFCD00052072;AKOS006228992;FS-1511;SB66928;BP-12497;2-methoxycarbonyl-3-chloro4-methylthiophene;2-methoxycarbonyl-3-chloro-4-methylthiophene;CS-0165845;FT-0628549;methyl 3-chloro-4-methylthiophenecarboxylate;I11777;A811771;methyl 3-chloranyl-4-methyl-thiophene-2-carboxylate;2-Thiophenecarboxylicacid,3-chloro-4-methyl-,methyl ester

Chemical Property of Methyl 3-chloro-4-methylthiophene-2-carboxylate

Chemical Property:

• Vapor Pressure: 0.0104mmHg at 25°C
• Melting Point: 75-77oC
• Boiling Point: 263.3oC at 760 mmHg
• Flash Point: 113.1oC
• PSA: 54.54000
• Density: 1.314g/cm3
• LogP: 2.49650
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 189.9855283
• Heavy Atom Count: 11
• Complexity: 163

Purity/Quality:

97% ^*data from raw suppliers

Methyl3-Chloro-4-methylthiophene-2-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 3-chloro-4-methylthiophene-2-carboxylate

There total 1 articles about Methyl 3-chloro-4-methylthiophene-2-carboxylate 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-amino-4-methyl-2-thiophenecarboxylic acid methyl ester (85006-31-1) → 3-chloro-4-methyl-2-thiophenecarboxylic acid methyl ester (175137-11-8)

Guidance literature:

3-amino-4-methyl-2-thiophenecarboxylic acid methyl ester; With hydrogenchloride; sodium nitrite; In water; at 0 ℃; for 1h;

With hydrogenchloride; copper(l) chloride; In water; at 0 - 20 ℃; Further stages.;

DOI:10.1016/j.bmc.2006.12.019

Reference yield:

3-chloro-4-methyl-2-thiophenecarboxylic acid methyl ester (175137-11-8) → N-(4-chlorophenyl)-2-[((3-chloro-4-((2-(2-methoxyethoxy)ethoxy)methyl)thiophen-2-yl)carbonyl)amino]-5-chlorobenzamide

Guidance literature:

Multi-step reaction with 6 steps

1: 54 percent / SO₂Cl₂; benzoyl peroxide / 17 h / Heating

2: HOAc / 24 h / Heating

3: NaOH / dioxane; H₂O / 1 h

4: SOCl₂ / 6 h / Heating

5: 5.1 g / pyridine / CH₂Cl₂ / 0 - 20 °C

6: 52 percent / NaH / dimethylformamide / 4 h / 65 °C

With pyridine; sodium hydroxide; thionyl chloride; sulfuryl dichloride; sodium hydride; acetic acid; dibenzoyl peroxide; In 1,4-dioxane; dichloromethane; water; N,N-dimethyl-formamide;

DOI:10.1016/j.bmc.2006.12.019

Reference yield:

3-chloro-4-methyl-2-thiophenecarboxylic acid methyl ester (175137-11-8) → C22H19Cl3N2O4S

Guidance literature:

Multi-step reaction with 6 steps

1: 54 percent / SO₂Cl₂; benzoyl peroxide / 17 h / Heating

2: HOAc / 24 h / Heating

3: NaOH / dioxane; H₂O / 1 h

4: SOCl₂ / 6 h / Heating

5: 5.1 g / pyridine / CH₂Cl₂ / 0 - 20 °C

6: 67 percent / NaH / dimethylformamide / 4 h / 65 °C

With pyridine; sodium hydroxide; thionyl chloride; sulfuryl dichloride; sodium hydride; acetic acid; dibenzoyl peroxide; In 1,4-dioxane; dichloromethane; water; N,N-dimethyl-formamide;

DOI:10.1016/j.bmc.2006.12.019

upstream raw materials:

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

Downstream raw materials:

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

N-(4-chlorophenyl)-2-[((3-chloro-4-((methylthio)methyl)thiophen-2-yl)carbonyl)amino]-5-chlorobenzamide

C₂₅H₂₃Cl₃N₂O₅S

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