2-[(4-Chlorophenyl)thio]-4-nitrobenzoic acid

Base Information

Chemical Name:2-[(4-Chlorophenyl)thio]-4-nitrobenzoic acid
CAS No.:66949-30-2
Molecular Formula:C₁₃H₈ClNO₄S
Molecular Weight:309.73
Hs Code.:
DSSTox Substance ID:DTXSID501259407

Synonyms:2-[(4-Chlorophenyl)thio]-4-nitrobenzoic acid;DTXSID501259407;AKOS013363200;66949-30-2

Suppliers and Price of 2-[(4-Chlorophenyl)thio]-4-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 2-[(4-Chlorophenyl)thio]-4-nitrobenzoic acid

Chemical Property:

XLogP3:4.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:308.9862566
Heavy Atom Count:20
Complexity:368

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC(=CC=C1SC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)O)Cl

Technology Process of 2-[(4-Chlorophenyl)thio]-4-nitrobenzoic acid

There total 2 articles about 2-[(4-Chlorophenyl)thio]-4-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:

: 16426-64-5
2-bromo-4-nitrobenzoic acid

: 106-54-7
p-Chlorothiophenol

: 66949-30-2
2-(4-chloro-phenylsulfanyl)-4-nitro-benzoic acid

Guidance literature:: With copper; potassium carbonate; In N,N,N,N,N,N-hexamethylphosphoric triamide; at 170 ℃;
DOI:10.1135/cccc19780471

Reference yield:

: 106-54-7
p-Chlorothiophenol

: 66949-30-2
2-(4-chloro-phenylsulfanyl)-4-nitro-benzoic acid

Guidance literature:: With potassium hydroxide;
DOI:10.1039/jr9510000757

Reference yield:

: 66949-30-2
2-(4-chloro-phenylsulfanyl)-4-nitro-benzoic acid

: 66949-34-6
4-Amino-2-(4-chlorphenylthio)-benzylalkohol

Guidance literature:: Multi-step reaction with 2 steps

1: NaBH₄, BF₃-Et₂O / tetrahydrofuran

2: N₂H₄*H₂O / Pd-C / ethanol

With sodium tetrahydroborate; boron trifluoride diethyl etherate; hydrazine hydrate; palladium on activated charcoal; In tetrahydrofuran; ethanol;
DOI:10.1135/cccc19780471