(S)-1-(o-Tolyl)ethanamine

Base Information

• Chemical Name: (S)-1-(o-Tolyl)ethanamine
• CAS No.: 76279-30-6
• Molecular Formula: C9H13 N
• Molecular Weight: 135.209
• Hs Code.: 2921499090
• DSSTox Substance ID: DTXSID101295314
• Nikkaji Number: J735.525D
• Mol file: 76279-30-6.mol

Synonyms:76279-30-6;(S)-1-(o-Tolyl)ethanamine;(1S)-1-(2-methylphenyl)ethan-1-amine;(1S)-1-(2-methylphenyl)ethanamine;(S)-1-o-tolylethanamine;(S)-o-Methyl-a-phenylethylamine;(S)-1-o-tolyl-ethylamine;SCHEMBL3867592;(S)-1-(o-tolyl)Ethan-1-amine;DTXSID101295314;(S)-1-(2-Methylphenyl)ethanamine;BDA27930;MFCD06761817;AKOS015840050;Benzenemethanamine,a,2-dimethyl-,(aS)-;Benzenemethanamine, ,2-dimethyl-, (S)-;BS-41781;(alphaS)-alpha,2-Dimethylbenzenemethanamine;LS-187798;CS-0000280;EN300-52925

Chemical Property of (S)-1-(o-Tolyl)ethanamine

Chemical Property:

• PSA: 26.02000
• LogP: 2.71500
• Storage Temp.: 2-8°C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 135.104799419
• Heavy Atom Count: 10
• Complexity: 101

Purity/Quality:

97% ^*data from raw suppliers

(S)-1-(o-Tolyl)ethanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1C(C)N
• Isomeric SMILES: CC1=CC=CC=C1[C@H](C)N

Technology Process of (S)-1-(o-Tolyl)ethanamine

There total 18 articles about (S)-1-(o-Tolyl)ethanamine 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: 93.0%

(1S,1'R)-N-(1'-phenylethyl)-1-(2''-methylphenyl)ethylamine (128113-83-7) → (-)-(S)-1-(2-methylphenyl)ethylamine (76279-30-6)

Guidance literature:

With hydrogen; ammonium formate; palladium on activated charcoal; In methanol; Heating;

Reference yield: 87.0%

(S)-1-phenyl-N-((S)-1-(2-(methyl)phenyl)ethyl)ethanamine (850790-53-3) → 2-Ethyltoluene (611-14-3) + (-)-(S)-1-(2-methylphenyl)ethylamine (76279-30-6)

Guidance literature:

With 5%-palladium/activated carbon; hydrogen; In methanol; at 60 ℃; for 24h; under 11251.1 Torr; optical yield given as %ee;

DOI:10.1002/adsc.201100250

Reference yield: 46.0%

1-(o-tolyl)ethanamine (42142-17-6) → (-)-(S)-1-(2-methylphenyl)ethylamine (76279-30-6) + [(1R)-1-(2-methylphenyl)ethyl]amine (105615-45-0)

Guidance literature:

1-(o-tolyl)ethanamine; With N-(1-(R)-phenylethyl)-oxalamic acid; In acetone; Heating;

With hydrogenchloride;

DOI:10.1016/j.tetasy.2004.09.017

upstream raw materials:

(1S,1'R)-N-(1'-phenylethyl)-1-(2''-methylphenyl)ethylamine

(1R,1'R)-N-(1'-phenylethyl)-1-(2''-methylphenyl)ethylamine

1-(o-tolyl)ethanamine

2-Methylacetophenone

Downstream raw materials:

(S)-2,2,2-trifluoro-N-(1-(2-(methyl)phenyl)ethyl)acetamide

bis-(S,S)-(1-o-tolyl-ethyl)-amine