5-Methyl-2-[(methylsulfanyl)methyl]aniline

Base Information

Chemical Name:5-Methyl-2-[(methylsulfanyl)methyl]aniline
CAS No.:53334-25-1
Molecular Formula:C₉H₁₃NS
Molecular Weight:167.275
Hs Code.:
DSSTox Substance ID:DTXSID00577525
Wikidata:Q82467560
Mol file:53334-25-1.mol

Synonyms:53334-25-1;5-Methyl-2-[(methylsulfanyl)methyl]aniline;DTXSID00577525

Suppliers and Price of 5-Methyl-2-[(methylsulfanyl)methyl]aniline

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 5-Methyl-2-[(methylsulfanyl)methyl]aniline

Chemical Property:

XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:167.07687059
Heavy Atom Count:11
Complexity:116

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=C(C=C1)CSC)N

Technology Process of 5-Methyl-2-[(methylsulfanyl)methyl]aniline

There total 2 articles about 5-Methyl-2-[(methylsulfanyl)methyl]aniline 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:

: 4113-72-8
1-azido-3-methylbenzene

: 53334-25-1
(2-amino-4-methylphenyl)methyl methyl sulphide

Guidance literature:: Multi-step reaction with 2 steps

1: 21 percent Chromat_. / trifluoroacetic acid (TFA), trifluoromethanesulphonic acid (TFSA) / 4 h / -30 °C

2: 1.) trifluoroacetic anhydride (TFAA) / 1.) CH₂Cl₂, -60 deg C, 2.) a) -60 deg C, 2 h, b) from -60 deg C to RT

With trifluorormethanesulfonic acid; trifluoroacetic acid; trifluoroacetic anhydride;

Reference yield:

: 67-68-5,8070-53-9
dimethyl sulfoxide

: 108-44-1
1-amino-3-methylbenzene

: 53334-24-0
(2-amino-6-methylphenyl)methyl methyl sulphide

: 53334-25-1
(2-amino-4-methylphenyl)methyl methyl sulphide

Guidance literature:: With trifluoroacetic anhydride; Yield given. Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts; 1.) CH₂Cl₂, -60 deg C, 2.) a) -60 deg C, 2 h, b) from -60 deg C to RT;