Benzenemethanesulfonic acid, 4-nitro-, 2,2-dimethylpropyl ester

Base Information

Chemical Name:Benzenemethanesulfonic acid, 4-nitro-, 2,2-dimethylpropyl ester
CAS No.:89841-01-0
Molecular Formula:C₁₂H₁₇NO₅S
Molecular Weight:287.337
Hs Code.:
DSSTox Substance ID:DTXSID60441536
Wikidata:Q82258328

Synonyms:89841-01-0;Benzenemethanesulfonic acid, 4-nitro-, 2,2-dimethylpropyl ester;DTXSID60441536

Suppliers and Price of Benzenemethanesulfonic acid, 4-nitro-, 2,2-dimethylpropyl ester

Supply Marketing:

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

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Chemical Property of Benzenemethanesulfonic acid, 4-nitro-, 2,2-dimethylpropyl ester

Chemical Property:

XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:287.08274382
Heavy Atom Count:19
Complexity:393

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Benzenemethanesulfonic acid, 4-nitro-, 2,2-dimethylpropyl ester

There total 2 articles about Benzenemethanesulfonic acid, 4-nitro-, 2,2-dimethylpropyl 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:

: 75-84-3
2,2-dimethyl-propanol-1

: 89841-01-0
(4-Nitro-phenyl)-methanesulfonic acid 2,2-dimethyl-propyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 74 percent / triethylamine / CH₂Cl₂ / 2 h / Ambient temperature

2: NaOH / dimethylsulfoxide / 1 h / Ambient temperature

With sodium hydroxide; triethylamine; In dichloromethane; dimethyl sulfoxide;
DOI:10.1055/s-1983-30611

Reference yield:

: 86434-24-4
neopentyl chloromethanesulfonate

: 98-95-3,26969-40-4
nitrobenzene

: 89841-02-1
(2-Nitro-phenyl)-methanesulfonic acid 2,2-dimethyl-propyl ester

: 89841-01-0
(4-Nitro-phenyl)-methanesulfonic acid 2,2-dimethyl-propyl ester

Guidance literature:: With sodium hydroxide; In dimethyl sulfoxide; for 1h; Yield given. Yields of byproduct given; Ambient temperature;
DOI:10.1055/s-1983-30611

Reference yield:

: 89841-01-0
(4-Nitro-phenyl)-methanesulfonic acid 2,2-dimethyl-propyl ester

: Difluoro-(4-nitro-phenyl)-methanesulfonic acid 2,2-dimethyl-propyl ester

Guidance literature:: With sodium hexamethyldisilazane; N-fluorobis(benzenesulfon)imide; Yield given. Multistep reaction; 1) THF, -78 deg C, 1 h; 2) THF, -78 deg C, 2 h;
DOI:10.1021/jo981163x