Methyl 5-nitro-2-(phenylthio)benzoate

Base Information

Chemical Name:Methyl 5-nitro-2-(phenylthio)benzoate
CAS No.:361336-72-3
Molecular Formula:C14H11NO4S
Molecular Weight:0
Hs Code.:2930909090
DSSTox Substance ID:DTXSID00384534
Wikidata:Q82176744
Mol file:361336-72-3.mol

Synonyms:methyl 5-nitro-2-(phenylthio)benzoate;361336-72-3;methyl 5-nitro-2-phenylsulfanylbenzoate;Maybridge1_003503;Oprea1_588423;HMS551H05;DTXSID00384534;AB3984;MFCD01566295;methyl5-nitro-2-(phenylthio)benzoate;AKOS008309322;CS-0367146

Suppliers and Price of Methyl 5-nitro-2-(phenylthio)benzoate

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Crysdot
Methyl5-nitro-2-(phenylthio)benzoate 95+%
5g
$ 1898.00

Crysdot
Methyl5-nitro-2-(phenylthio)benzoate 95+%
1g
$ 632.00

American Custom Chemicals Corporation
METHYL-5-NITRO-2-(PHENYLTHIO)BENZOATE 95.00%
5MG
$ 496.13

Total 2 raw suppliers

Chemical Property of Methyl 5-nitro-2-(phenylthio)benzoate

Chemical Property:

PSA：97.42000
LogP:4.05580
XLogP3:3.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:289.04087901
Heavy Atom Count:20
Complexity:352

Purity/Quality:

99% ^*data from raw suppliers

Methyl5-nitro-2-(phenylthio)benzoate 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC2=CC=CC=C2

Technology Process of Methyl 5-nitro-2-(phenylthio)benzoate

There total 4 articles about Methyl 5-nitro-2-(phenylthio)benzoate 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:

: 67-56-1
methanol

: 5-nitro-2-phenylsulfanyl-benzoyl chloride

: 361336-72-3
methyl 5-nitro-2-(phenylthio)benzoate

Guidance literature:: With pyridine; In dichloromethane; at 20 ℃;
DOI:10.1021/jm030233b

Reference yield:

: 7304-32-7
2-fluoro-5-nitrobenzoic acid

: 361336-72-3
methyl 5-nitro-2-(phenylthio)benzoate

Guidance literature:: Multi-step reaction with 3 steps

1: 87 percent / Et₃N / tetrahydrofuran / 20 h / Heating

2: oxalyl chloride; DMF / CH₂Cl₂ / 20 °C

3: 4.21 g / pyridine / CH₂Cl₂ / 20 °C

With pyridine; oxalyl dichloride; triethylamine; N,N-dimethyl-formamide; In tetrahydrofuran; dichloromethane;
DOI:10.1021/jm030233b

Reference yield:

: 6345-67-1
2-carboxy-4-nitrodiphenyl sulphide

: 361336-72-3
methyl 5-nitro-2-(phenylthio)benzoate

Guidance literature:: Multi-step reaction with 2 steps

1: oxalyl chloride; DMF / CH₂Cl₂ / 20 °C

2: 4.21 g / pyridine / CH₂Cl₂ / 20 °C

With pyridine; oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane;
DOI:10.1021/jm030233b