Ethyl 4-(chlorosulfonyl)benzoate

Base Information

• Chemical Name: Ethyl 4-(chlorosulfonyl)benzoate
• CAS No.: 10486-51-8
• Molecular Formula: C9H9 Cl O4 S
• Molecular Weight: 248.687
• Hs Code.: 2916399090
• European Community (EC) Number: 810-382-8
• DSSTox Substance ID: DTXSID90394844
• Nikkaji Number: J1.952.151F
• Wikidata: Q82194492
• Mol file: 10486-51-8.mol

Synonyms:10486-51-8;Ethyl 4-(chlorosulfonyl)benzoate;4-Chlorosulfonyl-benzoic acid ethyl ester;Ethyl 4-chlorosulfonylbenzoate;Benzoic acid, 4-(chlorosulfonyl)-, ethyl ester;4-chlorosulfonylbenzoic acid ethyl ester;4-(Ethoxycarbonyl)benzenesulfonyl chloride;Ethyl4-(chlorosulfonyl)benzoate;SCHEMBL343869;DTXSID90394844;MRNJSMNKWNPSDN-UHFFFAOYSA-N;4-carbethoxybenzenesulfonyl chloride;MFCD00121815;STL183250;AKOS002665964;4-Ethoxycarbonylbenzenesulfonyl Chloride;BS-14006;4-(Chlorosulfonyl)benzoic acid ethyl ester;4-CHLOROSULFONYL-BENZOICACIDETHYLESTER;BB 0220619;CS-0212990;EN300-04521;F21006;4-chlorosulfonyl-benzoic acid ethyl ester, AldrichCPR;Z56867238

Chemical Property of Ethyl 4-(chlorosulfonyl)benzoate

Chemical Property:

• Vapor Pressure: 5.94E-05mmHg at 25°C
• Refractive Index: 1.534
• Boiling Point: 346°Cat760mmHg
• Flash Point: 163°C
• PSA: 68.82000
• Density: 1.377g/cm³
• LogP: 2.87160
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 247.9910076
• Heavy Atom Count: 15
• Complexity: 312

Purity/Quality:

97% ^*data from raw suppliers

4-Chlorosulfonyl-benzoicacidethylester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)Cl

Technology Process of Ethyl 4-(chlorosulfonyl)benzoate

There total 4 articles about Ethyl 4-(chlorosulfonyl)benzoate 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:

potassium 4-ethoxycarbonylbenzenesulfonate (848568-21-8) → 4-ethoxycarbonylbenzenesulfonyl chloride (10486-51-8)

Guidance literature:

With trichlorophosphate; In sulfolane; acetonitrile; at 75 ℃; for 3h;

Reference yield:

4-iodobenzoic acid ethyl ester (51934-41-9) → 4-ethoxycarbonylbenzenesulfonyl chloride (10486-51-8)

Guidance literature:

4-iodobenzoic acid ethyl ester; With isopropylmagnesium chloride; In tetrahydrofuran; at -30 ℃; for 0.5h;

With sulfur dioxide; In tetrahydrofuran; at -40 ℃; for 0.5h;

With sulfuryl dichloride; In tetrahydrofuran; at -40 - 20 ℃;

DOI:10.1021/jo034643j

Reference yield:

p-aminoethylbenzoate (94-09-7) → 4-ethoxycarbonylbenzenesulfonyl chloride (10486-51-8)

Guidance literature:

(chlorosulfonation);

upstream raw materials:

p-aminoethylbenzoate

4-iodobenzoic acid ethyl ester

potassium 4-ethoxycarbonylbenzenesulfonate

Downstream raw materials:

4-[(3-methyl-3H-benzothiazol-2-ylidene)-hydrazinosulfonyl]-benzoic acid ethyl ester

4-(2,4-Dioxo-5,5-diphenyl-oxazolidine-3-sulfonyl)-benzoic acid ethyl ester

1,3-bis(p-toluolsulfonyloxy)-2-(4-carboxyethylbenzolsulfonyloxy)-propan

ethyl p-mercaptobenzoate