Benzoic acid, 2-[(2-nitro-1-phenylethyl)thio]-

Base Information

Chemical Name:Benzoic acid, 2-[(2-nitro-1-phenylethyl)thio]-
CAS No.:17785-37-4
Molecular Formula:C15H13NO4S
Molecular Weight:303.339
Hs Code.:
DSSTox Substance ID:DTXSID10424298

Synonyms:Benzoic acid, 2-[(2-nitro-1-phenylethyl)thio]-;Oprea1_239662;Oprea1_662217;17785-37-4;DTXSID10424298;2-(2-nitro-1-phenyl-ethyl)sulfanylbenzoic acid;2-(2-Nitro-1-phenyl-ethylsulfanyl)-benzoic acid

Suppliers and Price of Benzoic acid, 2-[(2-nitro-1-phenylethyl)thio]-

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 Benzoic acid, 2-[(2-nitro-1-phenylethyl)thio]-

Chemical Property:

XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:303.05652907
Heavy Atom Count:21
Complexity:365

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C(C[N+](=O)[O-])SC2=CC=CC=C2C(=O)O

Technology Process of Benzoic acid, 2-[(2-nitro-1-phenylethyl)thio]-

There total 4 articles about Benzoic acid, 2-[(2-nitro-1-phenylethyl)thio]- 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: 65.0%

: 5153-67-3
nitrostyrene

: 147-93-3
Thiosalicylic acid

: 17785-37-4
2-((2-nitro-1-phenylethyl)thio)benzoic acid

Guidance literature:: In ethanol; for 12h; Reflux;

Reference yield:

: 102-96-5
(2-nitroethenyl)benzene

: 147-93-3
Thiosalicylic acid

: 17785-37-4
2-((2-nitro-1-phenylethyl)thio)benzoic acid

Guidance literature:: In ethanol; Heating;
DOI:10.1021/jm00308a039

Reference yield:

: 100-52-7
benzaldehyde

: 17785-37-4
2-((2-nitro-1-phenylethyl)thio)benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: ammonium acetate; acetic acid / 3 h / Reflux

2: ethanol / 12 h / Reflux

With ammonium acetate; acetic acid; In ethanol;