5-(Aminosulphonyl)-2-methoxybenzoyl chloride

Base Information

• Chemical Name: 5-(Aminosulphonyl)-2-methoxybenzoyl chloride
• CAS No.: 52542-44-6
• Molecular Formula: C8H8 Cl N O4 S
• Molecular Weight: 249.675
• Hs Code.: 2935009090
• European Community (EC) Number: 257-996-7
• DSSTox Substance ID: DTXSID50200533
• Nikkaji Number: J32.733F
• Wikidata: Q83073673
• Mol file: 52542-44-6.mol

Synonyms:52542-44-6;5-(Aminosulphonyl)-2-methoxybenzoyl chloride;EINECS 257-996-7;2-methoxy-5-sulfamoylbenzoyl chloride;SCHEMBL7343997;DTXSID50200533;2-methoxy-5-sulfamylbenzoyl chloride;2-methoxy-5-sulfamoyl benzoyl chloride

Chemical Property of 5-(Aminosulphonyl)-2-methoxybenzoyl chloride

Chemical Property:

• Vapor Pressure: 1.76E-08mmHg at 25°C
• Boiling Point: 455.4°C at 760 mmHg
• Flash Point: 229.2°C
• PSA: 94.84000
• Density: 1.479g/cm³
• LogP: 2.50270
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 248.9862566
• Heavy Atom Count: 15
• Complexity: 337

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)Cl

Technology Process of 5-(Aminosulphonyl)-2-methoxybenzoyl chloride

There total 2 articles about 5-(Aminosulphonyl)-2-methoxybenzoyl chloride 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:

2-methoxy-5-sulfamoylbenzoic acid (22117-85-7) → 2-methoxy-5-sulphamoyl-benzoyl chloride (52542-44-6)

Guidance literature:

With pyridine; thionyl chloride; Heating;

DOI:10.1002/jps.2600711104

Reference yield:

→ 2-methoxy-5-sulphamoyl-benzoyl chloride (52542-44-6)

Guidance literature:

RSO2H, SOCl2;

Reference yield: 61.0%

2-methoxy-5-sulphamoyl-benzoyl chloride (52542-44-6) + pyrographite (7440-44-0) + C-[1-(4-fluoro-benzyl)-pyrrolidin-2-yl]-methylamine (65612-58-0) → Flubepride (56488-61-0)

Guidance literature:

With potassium carbonate; In water; acetone;

upstream raw materials:

2-methoxy-5-sulfamoylbenzoic acid

Downstream raw materials:

2-(2-Methoxy-5-sulfamoyl-benzoylamino)-4-methylsulfanyl-butyric acid

N-<(1-ethyl-2-pyrrolidinyl)methyl-5-oxo>-5-sulfamoyl-2-anisamide

N-(1-cyclopropylmethyl-3-pyrrolidinyl)-2-methoxy-5-sulphamoyl-benzamide

N-(1-adamantan-1-yl-pyrrolidin-2-ylmethyl)-2-methoxy-5-sulfamoyl-benzamide