6-(Methylsulfanyl)-2-nitroaniline

Base Information

Chemical Name:6-(Methylsulfanyl)-2-nitroaniline
CAS No.:494226-39-0
Molecular Formula:C7H8N2O2S
Molecular Weight:184.219
Hs Code.:
DSSTox Substance ID:DTXSID70448374
Mol file:494226-39-0.mol

Synonyms:6-(methylsulfanyl)-2-nitroaniline;494226-39-0;SCHEMBL6673312;DTXSID70448374;XKUGJYFYTQFEQQ-UHFFFAOYSA-N

Suppliers and Price of 6-(Methylsulfanyl)-2-nitroaniline

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of 6-(Methylsulfanyl)-2-nitroaniline

Chemical Property:

PSA：97.14000
LogP:3.00330
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:184.03064868
Heavy Atom Count:12
Complexity:171

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CSC1=CC=CC(=C1N)[N+](=O)[O-]

Technology Process of 6-(Methylsulfanyl)-2-nitroaniline

There total 4 articles about 6-(Methylsulfanyl)-2-nitroaniline 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: 40.0%

: 2524-76-7
1-(methylsulfanyl)-3-nitrobenzene

: 494226-39-0
6-(methylsulfanyl)-2-nitroaniline

Guidance literature:: With potassium tert-butylate; N-methoxylamine hydrochloride; copper(l) chloride; In DMF (N,N-dimethyl-formamide); at 5 - 20 ℃; for 3h;

Reference yield: 40.0%

: 2524-76-7
1-(methylsulfanyl)-3-nitrobenzene

: 23153-09-5
1-amino-4-methylthio-2-nitrobenzene

: 494226-39-0
6-(methylsulfanyl)-2-nitroaniline

Guidance literature:: With potassium tert-butylate; N-methoxylamine hydrochloride; copper(l) chloride; In N,N-dimethyl-formamide; at 20 ℃; for 3h;
DOI:10.1021/jm020367+

Reference yield:

: 3814-18-4
3-nitrothiophenol

: 494226-39-0
6-(methylsulfanyl)-2-nitroaniline

Guidance literature:: Multi-step reaction with 2 steps

1: 9.6 g / aq. KOH / 16 h / 20 °C

2: 40 percent / NH₂OMe*HCl; KOtBu; CuCl / dimethylformamide / 3 h / 20 °C

With potassium hydroxide; potassium tert-butylate; N-methoxylamine hydrochloride; copper(l) chloride; In N,N-dimethyl-formamide;
DOI:10.1021/jm020367+