5-(Butylsulfanyl)-2-nitrobenzoic acid

Base Information

Chemical Name:5-(Butylsulfanyl)-2-nitrobenzoic acid
CAS No.:76745-75-0
Molecular Formula:C₁₁H₁₃NO₄S
Molecular Weight:255.295
Hs Code.:
DSSTox Substance ID:DTXSID701299695

Synonyms:5-(butylsulfanyl)-2-nitrobenzoic acid;SCHEMBL11158179;YIIDOTSDXDFVJW-UHFFFAOYSA-N;DTXSID701299695;5-(Butylthio)-2-nitrobenzoic acid;AKOS009003187;benzoic acid, 5-(butylthio)-2-nitro-;76745-75-0

Suppliers and Price of 5-(Butylsulfanyl)-2-nitrobenzoic acid

Supply Marketing:

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

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Chemical Property of 5-(Butylsulfanyl)-2-nitrobenzoic acid

Chemical Property:

XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:255.05652907
Heavy Atom Count:17
Complexity:279

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCCCSC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O

Technology Process of 5-(Butylsulfanyl)-2-nitrobenzoic acid

There total 1 articles about 5-(Butylsulfanyl)-2-nitrobenzoic acid 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:

: 109-65-9
1-bromo-butane

: 2516-95-2
5-chloro-2-nitrobenzoic acid

: 76745-75-0
5-(butylthio)-2-nitrobenzoic acid

Guidance literature:: With sodium sulfide; sodium hydroxide; Yield given. Multistep reaction; 80 deg C, 4 h;

Reference yield:

: 76745-75-0
5-(butylthio)-2-nitrobenzoic acid

: 76745-76-1
5-(butylthio)-2-aminobenzoic acid

Guidance literature:: With hydrogen; nickel; In methanol; under 2585.7 Torr;

Reference yield:

: 76745-75-0
5-(butylthio)-2-nitrobenzoic acid

: 76746-37-7
2-amino-5-(butylthio)benzoic acid hydrazide

Guidance literature:: Multi-step reaction with 3 steps

1: 8.95 g / hydrogen / Raney nickel / methanol / 2585.7 Torr

2: 6.85 g / dioxane; benzene / Ambient temperature; stirring overnight

3: 94 percent / aq. hydrazine / H₂O / Ambient temperature; stirring overnight

With hydrogen; hydrazine hydrate; nickel; In 1,4-dioxane; methanol; water; benzene;