3-(Ethylthio)-5-nitrobenzoic acid

Base Information

Chemical Name:3-(Ethylthio)-5-nitrobenzoic acid
CAS No.:501359-46-2
Molecular Formula:C₉H₉NO₄S
Molecular Weight:227.241
Hs Code.:
NSC Number:12006
DSSTox Substance ID:DTXSID201299721

Synonyms:3-(ethylthio)-5-nitrobenzoic acid;NSC12006;DTXSID201299721;NSC-12006;501359-46-2

Suppliers and Price of 3-(Ethylthio)-5-nitrobenzoic acid

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

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Chemical Property of 3-(Ethylthio)-5-nitrobenzoic acid

Chemical Property:

XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:227.02522894
Heavy Atom Count:15
Complexity:253

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCSC1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O

Technology Process of 3-(Ethylthio)-5-nitrobenzoic acid

There total 1 articles about 3-(Ethylthio)-5-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:

: 6307-83-1
3-bromo-5-nitro-benzoic acid

: 75-08-1
ethanethiol

: 501359-46-2
C₉H₉NO₄S

Guidance literature:: With (R)-(-)-1-[(S_P)-2-(dicyclohexylphosphino)ferrocenyl]ethyldi-tert-butylphosphine; palladium diacetate; caesium carbonate; In 1,2-dimethoxyethane; at 125 ℃; for 0.416667h; Microwave irradiation;

Reference yield:

: 501359-46-2
C₉H₉NO₄S

: 1445791-42-3
3-amino-5-(ethylthio)benzoic acid

Guidance literature:: With 5%-palladium/activated carbon; hydrogen; In methanol; for 2h; Inert atmosphere;

Reference yield:

: 501359-46-2
C₉H₉NO₄S

: 1445787-96-1
3-((3-carbamoyl-7-(2,4-dimethoxypyrimidin-5-yl)quinolin-4-yl)amino)-5-(ethylthio)benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: hydrogen; 5%-palladium/activated carbon / methanol / 2 h / Inert atmosphere

2: acetic acid / 48 h / 20 °C

With 5%-palladium/activated carbon; hydrogen; acetic acid; In methanol;