BENZOIC ACID, 4-[(CHLOROSULFONYL)METHYL]-, METHYL ESTER

Base Information

• Chemical Name: BENZOIC ACID, 4-[(CHLOROSULFONYL)METHYL]-, METHYL ESTER
• CAS No.: 130047-14-2
• Molecular Formula: C9H9ClO4S
• Molecular Weight: 248.687
• Hs Code.: 2916399090
• Mol file: 130047-14-2.mol

Synonyms:[4-(Methoxycarbonyl)phenyl]methanesulphonyl chloride;

Chemical Property of BENZOIC ACID, 4-[(CHLOROSULFONYL)METHYL]-, METHYL ESTER

Chemical Property:

• Vapor Pressure: 8.69E-06mmHg at 25°C
• Melting Point: 116 °C
• Refractive Index: 1.55
• Boiling Point: 373.9 °C at 760 mmHg
• Flash Point: 179.9 °C
• PSA: 68.82000
• Density: 1.412 g/cm³
• LogP: 2.62260

Purity/Quality:

97% ^*data from raw suppliers

Methyl4-[(Chlorosulfonyl)methyl]benzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of BENZOIC ACID, 4-[(CHLOROSULFONYL)METHYL]-, METHYL ESTER

There total 3 articles about BENZOIC ACID, 4-[(CHLOROSULFONYL)METHYL]-, METHYL ESTER 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: 79.0%

Methyl 4-(bromomethyl)benzoate (2417-72-3) → 4-[(chlorosulfonyl)methyl]benzoic acid methyl ester (130047-14-2)

Guidance literature:

Methyl 4-(bromomethyl)benzoate; With tetrabutylammomium bromide; sodium sulfite; In water; Reflux;

With phosphorus pentachloride; In chloroform; at 20 ℃;

DOI:10.1016/j.ejmech.2020.112338

Reference yield:

3-MeOOC-Bzl-SO3(1-)*Na(1+) (46463-51-8) → 4-[(chlorosulfonyl)methyl]benzoic acid methyl ester (130047-14-2)

Guidance literature:

With phosphorus pentachloride; trichlorophosphate; at 0 - 80 ℃; for 4.08333h;

Reference yield:

(4-(methoxycarbonyl)phenyl)methanesulfonic acid → 4-[(chlorosulfonyl)methyl]benzoic acid methyl ester (130047-14-2)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; In dichloromethane; for 1.5h;

DOI:10.1021/acs.jmedchem.9b00327

upstream raw materials:

3-MeOOC-Bzl-SO₃^(1-)*Na⁽¹⁺⁾

Methyl 4-(bromomethyl)benzoate

Downstream raw materials:

4-[N (4-Fluoro-2-trifluoromethyl-phenyl)sulfamoylmethyl]-benzoic acid methyl ester

3-MeOOC-Bzls-d-Ppg-OH

pinacol [4-(methoxycarbonyl)phenylmethanesulfonylamino]methaneboronate

1-(4-methoxycarbonylphenyl)-3-phenyl-2-thia-3-azabicyclo[3.1.0]hexane 2,2-dioxide