N-Methyl-1-(4-(methylthio)phenyl)methanamine

Base Information

• Chemical Name: N-Methyl-1-(4-(methylthio)phenyl)methanamine
• CAS No.: 84212-03-3
• Molecular Formula: C9H13NS
• Molecular Weight: 167.275
• DSSTox Substance ID: DTXSID10368724
• Nikkaji Number: J1.998.910K
• Wikidata: Q82155489
• Mol file: 84212-03-3.mol

Synonyms:84212-03-3;Methyl-(4-methylsulfanyl-benzyl)-amine;N-Methyl-1-(4-(methylthio)phenyl)methanamine;N-methyl-N-[4-(methylthio)benzyl]amine;N-methyl-1-(4-methylsulfanylphenyl)methanamine;methyl({[4-(methylsulfanyl)phenyl]methyl})amine;SCHEMBL7329722;DTXSID10368724;YGDVLXUWGVDHAV-UHFFFAOYSA-N;HMS1783M18;N-Methyl-4-(methylthio)benzylamine;methyl (4-methylsulfanylbenzyl)amine;MFCD04635885;N-Methyl-N-(4-methylthiobenzyl)amine;AKOS001059790;AM101337;TS-02260;CS-0109905;FT-0712681;EN300-07820;D76957;N-Methyl-1-[4-(methylsulfanyl)phenyl]methanamine;Z56960262

Chemical Property of N-Methyl-1-(4-(methylthio)phenyl)methanamine

Chemical Property:

• PSA: 37.33000
• LogP: 2.51880
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 167.07687059
• Heavy Atom Count: 11
• Complexity: 97.7

Purity/Quality:

99% ^*data from raw suppliers

N-Methyl-1-(4-(methylthio)phenyl)methanamine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNCC1=CC=C(C=C1)SC

Technology Process of N-Methyl-1-(4-(methylthio)phenyl)methanamine

There total 3 articles about N-Methyl-1-(4-(methylthio)phenyl)methanamine 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: 80.0%

methanol (67-56-1) + 1-(azidomethyl)-4-methylsulfanylbenzene (142070-82-4) → N,N-dimethyl-1-(4-(methylthio)phenyl)methanamine (15197-90-7) + 4-(Methylthio)-N-methylbenzenemethanamine (84212-03-3)

Guidance literature:

With trans-RuCl(phenpyra-Me)(PPh₃)₂PF₆; sodium hydroxide; at 125 ℃; for 24h; Sealed tube; Inert atmosphere; Glovebox;

DOI:10.1039/c8gc00863a

Reference yield:

Methyl-[1-(4-methylsulfanyl-phenyl)-meth-(E)-ylidene]-amine → 4-(Methylthio)-N-methylbenzenemethanamine (84212-03-3)

Guidance literature:

With sodium tetrahydroborate; In ethanol; for 24h; Yield given;

Reference yield:

4-(Methylthio)benzaldehyde (3446-89-7) → 4-(Methylthio)-N-methylbenzenemethanamine (84212-03-3)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂O

2: NaBH₄

With sodium tetrahydroborate; In water;

DOI:10.1016/j.tet.2003.10.100

upstream raw materials:

4-(Methylthio)benzaldehyde

methanol

1-(azidomethyl)-4-methylsulfanylbenzene

Downstream raw materials:

1-[Methyl-(4-methylsulfanyl-benzyl)-amino]-cyclohexanecarbonitrile

4-(Methylthio)benzaldehyde

N-benzoyl-N-methyl-N-(4-methylthiobenzyl)amine

2-Methyl-2-[methyl-(4-methylsulfanyl-benzyl)-amino]-propionitrile

Refernces

• 1、 Colonna, Stefano,Pironti, Vincenza,Carrea, Giacomo,Pasta, Piero,Zambianchi, Francesca. "Oxidation of secondary amines by molecular oxygen and cyclohexanone monooxygenase". . p. 569 - 575. Retrieved 2007/10/03.