Methyl 2-(3-chlorophenyl)sulfonylacetate

Base Information

• Chemical Name: Methyl 2-(3-chlorophenyl)sulfonylacetate
• CAS No.: 78066-30-5
• Molecular Formula: C₉H₉ClO₄S
• Molecular Weight: 248.687
• DSSTox Substance ID: DTXSID001265675

Synonyms:78066-30-5;Methyl 2-(3-chlorophenyl)sulfonylacetate;(3-chloro-benzenesulfonyl)-acetic acid methyl ester;SCHEMBL1346427;UUIGWLTXNSCYIF-UHFFFAOYSA-N;DTXSID001265675;AKOS011940076;Methyl2-(3-chlorophenyl)sulfonylacetate;Methyl 2-[(3-chlorophenyl)sulfonyl]acetate;METHYL 2-(3-CHLOROBENZENESULFONYL)ACETATE

Chemical Property of Methyl 2-(3-chlorophenyl)sulfonylacetate

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 247.9910076
• Heavy Atom Count: 15
• Complexity: 320

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)CS(=O)(=O)C1=CC(=CC=C1)Cl

Technology Process of Methyl 2-(3-chlorophenyl)sulfonylacetate

There total 4 articles about Methyl 2-(3-chlorophenyl)sulfonylacetate 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: 86.0%

3-chlorophenylboronic acid (63503-60-6) + bromoacetic acid methyl ester (96-32-2) → methyl 2-((3-chlorophenyl)sulfonyl)acetate (78066-30-5)

Guidance literature:

With tris(triphenylphosphine)ruthenium(II) chloride; 1,4-diazabicyclo [2.2.2] octane-1,4-diium-1,4-disulfinate; triethylamine; In methanol; at 100 ℃; for 8h; Sealed tube;

DOI:10.1021/acs.joc.9b03403

Reference yield:

chloroacetic acid ethyl ester (105-39-5) + sodium 3-chlorobenzenesulfinate (15946-37-9) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → methyl 2-((3-chlorophenyl)sulfonyl)acetate (78066-30-5)

Guidance literature:

at 80 ℃; for 2h; Inert atmosphere;

DOI:10.1016/j.ejmech.2017.03.071

Reference yield:

methanol (67-56-1) + 3-Chlor-phenylsulfonylessigsaeure (3938-05-4) → methyl 2-((3-chlorophenyl)sulfonyl)acetate (78066-30-5)

Guidance literature:

hydrogenchloride; Rate constant;

upstream raw materials:

methanol

3-Chlor-phenylsulfonylessigsaeure

chloroacetic acid ethyl ester

sodium 3-chlorobenzenesulfinate

Downstream raw materials:

C₁₅H₁₇ClO₅S

C₁₄H₁₅ClO₅S

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