Methyl 3-chloro-6-methyl-1-benzothiophene-2-carboxylate

Base Information

• Chemical Name: Methyl 3-chloro-6-methyl-1-benzothiophene-2-carboxylate
• CAS No.: 59812-34-9
• Molecular Formula: C11H9ClO2S
• Molecular Weight: 240.71
• Hs Code.: 2934999090
• European Community (EC) Number: 623-507-4
• DSSTox Substance ID: DTXSID40400005
• Wikidata: Q82202811
• Mol file: 59812-34-9.mol

Synonyms:59812-34-9;methyl 3-chloro-6-methyl-1-benzothiophene-2-carboxylate;Methyl 3-chloro-6-methylbenzo[b]thiophene-2-carboxylate;SCHEMBL5023563;Methyl 6-Methyl-3-Chlorobenzo[b]thiophene-2-Carboxylate;DTXSID40400005;BBL016581;MFCD01630702;STK424639;AKOS003236004;Methyl 3-chloro-6-methylbenzo(b)thiophe&;VS-05384;CS-0282034;FT-0684395;METHYL3-CHLORO-6-METHYLBENZO(B)THIOPHE&;A869113;AE-641/05550051;3-chloro-2-methoxycarbonyl-6-methylbenzo[b]thiophene;Z275159006;Methyl 3-chloro-6-methylbenzo[b]thiophene-2-carboxylate, 97%

Chemical Property of Methyl 3-chloro-6-methyl-1-benzothiophene-2-carboxylate

Chemical Property:

• Vapor Pressure: 3.2E-05mmHg at 25°C
• Melting Point: 88-92 °C(lit.)
• Refractive Index: 1.632
• Boiling Point: 355.1 °C at 760 mmHg
• Flash Point: 168.6 °C
• PSA: 54.54000
• Density: 1.343 g/cm³
• LogP: 3.64970
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 240.0011784
• Heavy Atom Count: 15
• Complexity: 259

Purity/Quality:

97% ^*data from raw suppliers

Methyl 3-chloro-6-methylbenzo[b]thiophene-2-carboxylate 97% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)C(=C(S2)C(=O)OC)Cl

Technology Process of Methyl 3-chloro-6-methyl-1-benzothiophene-2-carboxylate

There total 2 articles about Methyl 3-chloro-6-methyl-1-benzothiophene-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:

methanol (67-56-1) + 3-Chlor-6-methyl-benzo--thiophen-2-carbonsaeurechlorid (34576-87-9) → methyl 3-chloro-6-methylbenzothiophene-2-carboxylate (59812-34-9)

Guidance literature:

With dmap; In dichloromethane; at 0 - 20 ℃; for 3h;

Reference yield:

→ methyl 3-chloro-6-methylbenzothiophene-2-carboxylate (59812-34-9)

Guidance literature:

3b, 1) Thionylchlorid/Py. 2) absol. Me.;

DOI:10.1021/jo00883a014

upstream raw materials:

methanol

3-Chlor-6-methyl-benzo--thiophen-2-carbonsaeurechlorid

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