Methyl 3-chlorobenzo(b)thiophene-2-carboxylate 1,1-dioxide

Base Information

• Chemical Name: Methyl 3-chlorobenzo(b)thiophene-2-carboxylate 1,1-dioxide
• CAS No.: 21211-23-4
• Molecular Formula: C10H7 Cl O4 S
• Molecular Weight: 258.682
• Hs Code.: 2934999090
• European Community (EC) Number: 244-271-5
• UNII: G9NE9L6KW6
• DSSTox Substance ID: DTXSID60175440
• Nikkaji Number: J226.167G
• Wikidata: Q83045781
• Mol file: 21211-23-4.mol

Synonyms:21211-23-4;methyl 3-chloro-1-benzothiophene-2-carboxylate 1,1-dioxide;Methyl 3-chlorobenzo(b)thiophene-2-carboxylate 1,1-dioxide;methyl 3-chloro-1,1-dioxo-1-benzothiophene-2-carboxylate;methyl 3-chlorobenzo[b]thiophene-2-carboxylate 1,1-dioxide;G9NE9L6KW6;SCHEMBL11804690;DTXSID60175440;EINECS 244-271-5;AKOS005266747;CS-0116773;AA-516/33240005;3-Chloro-2-(methoxycarbonyl)benzo[b]thiophene 1,1-dioxide;Benzo[b]thiophene-2-carboxylic acid, 3-chloro-, methyl ester, 1,1-dioxide

Chemical Property of Methyl 3-chlorobenzo(b)thiophene-2-carboxylate 1,1-dioxide

Chemical Property:

• Vapor Pressure: 4.27E-08mmHg at 25°C
• Boiling Point: 444.5°Cat760mmHg
• Flash Point: 222.6°C
• PSA: 68.82000
• Density: 1.57g/cm³
• LogP: 2.63510
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 257.9753576
• Heavy Atom Count: 16
• Complexity: 446

Purity/Quality:

NLT 98% ^*data from raw suppliers

METHYL 3-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLATE 1,1-DIOXIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(C2=CC=CC=C2S1(=O)=O)Cl

Technology Process of Methyl 3-chlorobenzo(b)thiophene-2-carboxylate 1,1-dioxide

There total 1 articles about Methyl 3-chlorobenzo(b)thiophene-2-carboxylate 1,1-dioxide 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-Chlor-benzothiophen-2-carbonsaeure-methylester-1,1-dioxid (21211-23-4)

Guidance literature:

aus 3-Chlorbenzthiophen-2-carbonsaeuremethylester, H2O2;

Reference yield:

3-Chlor-benzothiophen-2-carbonsaeure-methylester-1,1-dioxid (21211-23-4) → 3-Phenylhydrazonobenzothiophen-1,1-dioxid (79726-12-8)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. methanol / 20 h / Heating

2: 75 percent / methanol / 0.5 h / Heating

With methanol; In methanol;

Reference yield:

3-Chlor-benzothiophen-2-carbonsaeure-methylester-1,1-dioxid (21211-23-4) → 3-Anilino-benzothiophen-1,1-dioxid (79726-06-0)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. methanol / 20 h / Heating

2: 75 percent / tetrahydrofuran / 1 h / Heating

With methanol; In tetrahydrofuran;

Downstream raw materials:

1-benzothiophen-3(2H)-one 1,1-dioxide

3-Phenylhydrazonobenzothiophen-1,1-dioxid

3-Anilino-benzothiophen-1,1-dioxid

3-Benzoylmethylen-2,3-dihydrobenzothiophen-S,S-dioxid

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