1-(3-Methylphenyl)ethanamine

Base Information

• Chemical Name: 1-(3-Methylphenyl)ethanamine
• CAS No.: 70138-19-1
• Molecular Formula: C9H13N
• Molecular Weight: 135.209
• Hs Code.: 2921499090
• DSSTox Substance ID: DTXSID10398627
• Nikkaji Number: J450.679K
• Mol file: 70138-19-1.mol

Synonyms:1-(3-methylphenyl)ethanamine;70138-19-1;1-(m-Tolyl)ethanamine;1-(m-Tolyl)ethan-1-amine;1-(3-methylphenyl)ethan-1-amine;Benzenemethanamine, alpha,3-dimethyl-, (alphaS)-;3,alpha-Dimethylbenzylamine;1-(3-Methylphenyl) ethylamine;SCHEMBL1238870;DTXSID10398627;MFCD05215233;STK489636;AKOS003383146;AKOS016344541;CS-W021257;SB75412;Benzenemethanamine, .alpha.,3-dimethyl-;DS-18045;1-(3-Methylphenyl)ethanamine, AldrichCPR;BB 0262011;FT-0651587;FT-0678535;A19081;EN300-249389;Y11645

Chemical Property of 1-(3-Methylphenyl)ethanamine

Chemical Property:

• Boiling Point: 204-205 °C
• PKA: 9.08±0.10(Predicted)
• PSA: 26.02000
• Density: 0.9344 g/cm3
• LogP: 2.71500
• Storage Temp.: under inert gas (nitrogen or Argon) at 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

1-(3-methylphenyl)ethanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(3-Methylphenyl)ethanamine

There total 5 articles about 1-(3-Methylphenyl)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: 81.0%

3-Methylacetophenone (585-74-0) → 1-(m-tolyl)ethylamine (70138-19-1,138457-19-9)

Guidance literature:

With N,N'-bis(salicylidene)-1,2-phenylene-diaminocobalt(II); ammonia; hydrogen; In water; at 130 ℃; for 24h; Autoclave;

DOI:10.1039/c9sc04963k

Reference yield: 56.0%

→ 1-(m-tolyl)ethylamine (70138-19-1,138457-19-9)

Guidance literature:

With aluminium(III) triflate; (carbonyl)(chloro)(hydrido)tris(triphenylphosphine)ruthenium(II); ammonia; hydrogen; 1,2-bis-(diphenylphosphino)ethane; at 120 ℃; for 16h; Autoclave;

Reference yield:

1-m-tolyl-ethanone oxime (23040-54-2) → 1-(m-tolyl)ethylamine (70138-19-1,138457-19-9)

Guidance literature:

With ammonium hydroxide; hydrogen; nickel; In ethanol; for 48h; under 2585.81 Torr;

DOI:10.1016/j.bmc.2009.03.041

upstream raw materials:

formamide

3-Methylacetophenone

ammonium formate

1-m-tolyl-ethanone oxime

Downstream raw materials:

1-(m-Methylphenyl)-1-formylaminethan

(1R)-1-(3-methylphenyl)ethan-1-amine

(-)-(S)-1-(3-methylphenyl)ethylamine

N-Methyl-N-<1-(m-methylphenyl)-ethyl>-amin