Methyl 3-(chlorosulfonyl)-4-methoxybenzoate

Base Information

• Chemical Name: Methyl 3-(chlorosulfonyl)-4-methoxybenzoate
• CAS No.: 192323-12-9
• Molecular Formula: C9H9 Cl O5 S
• Molecular Weight: 264.686
• Hs Code.: 2918990090
• European Community (EC) Number: 824-010-7
• DSSTox Substance ID: DTXSID50383259
• Mol file: 192323-12-9.mol

Synonyms:methyl 3-(chlorosulfonyl)-4-methoxybenzoate;192323-12-9;methyl 3-chlorosulfonyl-4-methoxybenzoate;methyl-3-(CHLOROSULFONYL)-4-METHOXYBENZOATE;MFCD03407355;SCHEMBL1020735;DTXSID50383259;FKAIQWMEWVOGDP-UHFFFAOYSA-N;BBL101809;STL555606;AKOS002669477;MS-20291;methyl 3-(chlorosulfonyl)-4methoxybenzoate;FT-0628488;EN300-54849;methyl 3-(chlorosulfonyl)-4-(methyloxy)benzoate;F2126-0075;Benzoic acid, 3-(chlorosulfonyl)-4-methoxy-, methyl ester

Chemical Property of Methyl 3-(chlorosulfonyl)-4-methoxybenzoate

Chemical Property:

• Vapor Pressure: 2.04E-06mmHg at 25°C
• Melting Point: 126 °C
• Refractive Index: 1.527
• Boiling Point: 394°Cat760mmHg
• Flash Point: 192.1°C
• PSA: 78.05000
• Density: 1.407g/cm³
• LogP: 2.49010
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 263.9859223
• Heavy Atom Count: 16
• Complexity: 347

Purity/Quality:

98%min ^*data from raw suppliers

Methyl 3-(chlorosulfonyl)-4-methoxybenzoate 90% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R34:Causes burns.
• Hazard Codes: Xn
• Statements: 22
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39:Wear suitabl

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 3-(chlorosulfonyl)-4-methoxybenzoate

There total 1 articles about Methyl 3-(chlorosulfonyl)-4-methoxybenzoate 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: 5.0%

methyl 4-methoxybenzoate (121-98-2) → methyl 3-(chlorosulfonyl)-4-methoxybenzoate (192323-12-9)

Guidance literature:

With chlorosulfonic acid; at 0 - 20 ℃;

Reference yield: 100.0%

4-(2-AMINOETHYL)MORPHOLINE (2038-03-1) + methyl 3-(chlorosulfonyl)-4-methoxybenzoate (192323-12-9) → methyl 4-methoxy-3-(N-(2-morpholinoethyl)sulfamoyl)benzoate (1610860-95-1)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 2h;

Reference yield: 99.0%

methyl 3-(chlorosulfonyl)-4-methoxybenzoate (192323-12-9) + 5-chloro-2-(3,3-difluoropiperidin-1-yl)aniline → methyl 3-(N-(5-chloro-2-(3,3-difluoropiperidin-1-yl)phenyl)sulfamoyl)-4- methoxybenzoate

Guidance literature:

With pyridine; In dichloromethane; at 20 ℃; for 18h;

upstream raw materials:

methyl 4-methoxybenzoate

Downstream raw materials:

methyl 4-methoxy-3-(morpholinosulfonyl)benzoate

1,1-dimethylethyl-(3R)-3-[({2-(methyloxy)-5-[(methyloxy)carbonyl]phenyl}sulfonyl)amino]-1-pyrrolidinecarboxylate

3-(cyclohexyl-methyl-sulfamoyl)-4-methoxybenzoic acid methyl ester

4-methoxy-3-(N-(2-morpholinoethyl)sulfamoyl)benzoic acid