(2R)-6,7-dichloro-5-(dimethylsulfamoyl)-2,3-dihydro-1-benzofuran-2-carboxylic acid

Base Information

• Chemical Name: (2R)-6,7-dichloro-5-(dimethylsulfamoyl)-2,3-dihydro-1-benzofuran-2-carboxylic acid
• CAS No.: 108940-98-3
• Molecular Formula: C₁₁H₁₁Cl₂NO₅S
• Molecular Weight: 340.184
• DSSTox Substance ID: DTXSID501127773
• Nikkaji Number: J386.531B
• Mol file: 108940-98-3.mol

Synonyms:108940-98-3;(2R)-6,7-dichloro-5-(dimethylsulfamoyl)-2,3-dihydro-1-benzofuran-2-carboxylic acid;S-8666 (+);(R)-2,3-Dihydro-6,7-dichloro-5-((dimethylamino)sulfonyl)-2-benzofurancarboxylic acid;2-Benzofurancarboxylic acid, 2,3-dihydro-6,7-dichloro-5-((dimethylamino)sulfonyl)-, (R)-;SCHEMBL10428065;DTXSID501127773;LS-34999;(+)-S-8666;(2R)-6,7-Dichloro-5-[(dimethylamino)sulfonyl]-2,3-dihydro-2-benzofurancarboxylic acid

Chemical Property of (2R)-6,7-dichloro-5-(dimethylsulfamoyl)-2,3-dihydro-1-benzofuran-2-carboxylic acid

Chemical Property:

• Vapor Pressure: 1.26E-12mmHg at 25°C
• Boiling Point: 543.1°Cat760mmHg
• Flash Point: 282.3°C
• PSA: 92.29000
• Density: 1.61g/cm³
• LogP: 2.71260
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 338.9734990
• Heavy Atom Count: 20
• Complexity: 492

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)S(=O)(=O)C1=C(C(=C2C(=C1)CC(O2)C(=O)O)Cl)Cl
• Isomeric SMILES: CN(C)S(=O)(=O)C1=C(C(=C2C(=C1)C[C@@H](O2)C(=O)O)Cl)Cl

Technology Process of (2R)-6,7-dichloro-5-(dimethylsulfamoyl)-2,3-dihydro-1-benzofuran-2-carboxylic acid

There total 22 articles about (2R)-6,7-dichloro-5-(dimethylsulfamoyl)-2,3-dihydro-1-benzofuran-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: 94.0%

methyl (R)-6,7-dichloro-5-(N,N-dimethylsulfamoyl)-2,3-dihydrobenzofuran-2-carboxylate (118196-06-8) → (R)-6,7-dichloro-5-(N,N-dimethylsulfamoyl)-2,3-dihydrobenzofuran-2-carboxylic acid (108940-98-3)

Guidance literature:

With sodium hydroxide; In acetonitrile; for 0.333333h; Ambient temperature;

Reference yield: 91.0%

(S)-1-(6,7-Dichloro-5-dimethylsulfamoyl-2,3-dihydro-benzofuran-2-carbonyl)-pyrrolidine-2-carboxylic acid tert-butyl ester (113730-66-8,113730-67-9) → 6,7-Dichloro-5-dimethylsulfamoyl-2,3-dihydro-benzofuran-2-carboxylic acid (103968-87-2,108940-98-3,108940-99-4,125276-68-8)

Guidance literature:

With sulfuric acid; In 1,4-dioxane; water; at 90 ℃; for 17h;

DOI:10.1248/cpb.35.3195

Reference yield: 86.0%

(S)-1-(6,7-Dichloro-5-dimethylsulfamoyl-2,3-dihydro-benzofuran-2-carbonyl)-pyrrolidine-2-carboxylic acid tert-butyl ester (113730-66-8,113730-67-9) → 6,7-Dichloro-5-dimethylsulfamoyl-2,3-dihydro-benzofuran-2-carboxylic acid (103968-87-2,108940-98-3,108940-99-4,125276-68-8)

Guidance literature:

With sulfuric acid; In 1,4-dioxane; at 90 ℃; for 17h;

DOI:10.1248/cpb.35.3195

upstream raw materials:

methyl (R)-6,7-dichloro-5-(N,N-dimethylsulfamoyl)-2,3-dihydrobenzofuran-2-carboxylate

2,3-dichlorophenol

6,7-dichloro-2,3-dihydro-2-benzofurancarboxylic acid

2,3-dichlorophenyl methoxymethyl ether

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