Methyl 4-(chlorosulfonyl)-3-nitrobenzoate

Base Information

Chemical Name:Methyl 4-(chlorosulfonyl)-3-nitrobenzoate
CAS No.:162010-78-8
Molecular Formula:C8H6ClNO6S
Molecular Weight:279.658
Hs Code.:
European Community (EC) Number:832-000-9
DSSTox Substance ID:DTXSID90458839
Nikkaji Number:J1.607.321K
Wikidata:Q82282384
Mol file:162010-78-8.mol

Synonyms:methyl 4-(chlorosulfonyl)-3-nitrobenzoate;162010-78-8;methyl 4-chlorosulfonyl-3-nitrobenzoate;Benzoic acid, 4-(chlorosulfonyl)-3-nitro-, methyl ester;SCHEMBL11973460;DTXSID90458839;QSCZSBGBDORDGM-UHFFFAOYSA-N;MFCD09863389;AKOS009162503;methyl4-(chlorosulfonyl)-3-nitrobenzoate;BS-14096;CS-0245555;EN300-30658;4-chlorosulfonyl-3-nitro-benzoic acid methyl ester;3-Nitro-4-(chlorosulfonyl)benzoic acid methyl ester;Z315923776

Suppliers and Price of Methyl 4-(chlorosulfonyl)-3-nitrobenzoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 3 raw suppliers

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

Chemical Property:

XLogP3:1.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:278.9604358
Heavy Atom Count:17
Complexity:411

Purity/Quality:: 99.90% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=CC(=C(C=C1)S(=O)(=O)Cl)[N+](=O)[O-]

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

There total 4 articles about Methyl 4-(chlorosulfonyl)-3-nitrobenzoate 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:

: 59515-34-3
4-mercapto-3-nitro-benzoic acid methyl ester

: 162010-78-8
4-chlorosulfonyl-3-nitrobenzoic acid methyl ester

Guidance literature:: With hydrogenchloride; N-chloro-succinimide; In water; acetonitrile; at 0 ℃; for 1h;
DOI:10.1002/cmdc.201600488

Reference yield:

: 14719-83-6
methyl 3-nitro-4-chlorobenzoate

: 162010-78-8
4-chlorosulfonyl-3-nitrobenzoic acid methyl ester

Guidance literature:: With sodium disulfide; chlorine; Yield given. Multistep reaction; 1.) DMSO, EtOH, rt; 2.) AcOH, H₂O, rt;
DOI:10.1016/S0040-4039(97)01627-4

Reference yield:

: 329-59-9
4-fluoro-3-nitro-benzoic acid methyl ester

: 162010-78-8
4-chlorosulfonyl-3-nitrobenzoic acid methyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: N-ethyl-N,N-diisopropylamine / methanol / 2.5 h / 5 - 15 °C

2: hydrogenchloride; sodium hypochlorite solution / dichloromethane / 17 h / 0 - 10 °C

With hydrogenchloride; sodium hypochlorite solution; N-ethyl-N,N-diisopropylamine; In methanol; dichloromethane;