1-[(4-Methylbenzene-1-sulfonyl)methyl]-2-nitrobenzene

Base Information

Chemical Name:1-[(4-Methylbenzene-1-sulfonyl)methyl]-2-nitrobenzene
CAS No.:61081-33-2
Molecular Formula:C14H13NO4S
Molecular Weight:291.328
Hs Code.:
DSSTox Substance ID:DTXSID70542604
Wikidata:Q82419325

Synonyms:61081-33-2;SCHEMBL5738819;1-[(4-Methylbenzene-1-sulfonyl)methyl]-2-nitrobenzene;DTXSID70542604

Suppliers and Price of 1-[(4-Methylbenzene-1-sulfonyl)methyl]-2-nitrobenzene

Supply Marketing:

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

Manufacturers and distributors:

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Total 0 raw suppliers

Chemical Property of 1-[(4-Methylbenzene-1-sulfonyl)methyl]-2-nitrobenzene

Chemical Property:

XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:291.05652907
Heavy Atom Count:20
Complexity:429

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=CC=C2[N+](=O)[O-]

Technology Process of 1-[(4-Methylbenzene-1-sulfonyl)methyl]-2-nitrobenzene

There total 5 articles about 1-[(4-Methylbenzene-1-sulfonyl)methyl]-2-nitrobenzene 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: 98.0%

: 824-79-3
sodium 4-methylbenzenesulfinate

: 3958-60-9
2-nitrophenylmethyl bromide

: 61081-33-2
1-nitro-2-(tosylmethyl)benzene

Guidance literature:: In N,N-dimethyl-formamide; for 0.166667h; Heating;
DOI:10.1016/S0040-4020(01)96783-3

Reference yield: 59.0%

: 3740-52-1
2-(2-nitrophenyl)acetic acid

: 824-79-3
sodium 4-methylbenzenesulfinate

: 61081-33-2
1-nitro-2-(tosylmethyl)benzene

Guidance literature:: With copper(II) acetate monohydrate; In N,N-dimethyl-formamide; at 115 ℃; for 6h; regioselective reaction; Schlenk technique; Inert atmosphere;
DOI:10.1021/acs.orglett.0c02516