1-(2-Methylphenyl)ethanamine

Base Information

• Chemical Name: 1-(2-Methylphenyl)ethanamine
• CAS No.: 42142-17-6
• Molecular Formula: C9H13N
• Molecular Weight: 135.209
• Hs Code.: 2921499090
• European Community (EC) Number: 843-056-9
• DSSTox Substance ID: DTXSID30392066
• Nikkaji Number: J450.677D
• Mol file: 42142-17-6.mol

Synonyms:1-(2-methylphenyl)ethanamine;42142-17-6;1-(o-Tolyl)ethanamine;1-o-Tolylethylamine;1-o-tolylethanamine;[1-(2-methylphenyl)ethyl]amine;1-(2-methylphenyl)ethan-1-amine;MFCD05215232;Benzenemethanamine, alpha,2-dimethyl-, (alphaR)-;Benzenemethanamine, alpha,2-dimethyl-, (alphaS)-;2,alpha-Dimethylbenzylamine;SCHEMBL143737;1-o-Tolylethylamine, AldrichCPR;1-(2'-Methylphenyl )Ethylamine;DTXSID30392066;ZCDYTNZJBGSKFI-UHFFFAOYSA-N;BBL036386;STL506914;AKOS000264584;AKOS016874506;AC-2676;SB75502;SB75514;Benzenemethanamine, .alpha.,2-dimethyl-;NCGC00323191-01;AS-17983;SY002511;CS-0213133;FT-0652257;FT-0658904;FT-0712127;EN300-10289;A18765;N12083;AB01102993-03;Benzenemethanamine, .alpha.,2-dimethyl-, (.alpha.S)-

Chemical Property of 1-(2-Methylphenyl)ethanamine

Chemical Property:

• Vapor Pressure: 0.204mmHg at 25°C
• Refractive Index: 1.53
• Boiling Point: 209.3 °C at 760 mmHg
• PKA: 9.22±0.10(Predicted)
• Flash Point: 84.6 °C
• PSA: 26.02000
• Density: 0.945 g/cm³
• 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

1-(2-Methylphenyl)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
• Uses: 1-(2-Methylphenyl)ethanamine is a useful compound for the synthesis and screening of macamides analogs as TNF-?α inhibitors. 1-(2-Methylphenyl)ethanamine (cas# 42142-17-6) is a useful compound for the synthesis and screening of macamides analogs as TNF-?α inhibitors.

Technology Process of 1-(2-Methylphenyl)ethanamine

There total 17 articles about 1-(2-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: 76.0%

1-(2-methylphenyl)ethanone oxime (27810-08-8) → 1-(o-tolyl)ethanamine (42142-17-6)

Guidance literature:

With sodium; In ethanol; Heating; Inert atmosphere;

DOI:10.1039/c7ob02385e

Reference yield: 55.0%

2-Methylacetophenone (577-16-2,122382-54-1) → 1-(o-tolyl)ethanamine (42142-17-6)

Guidance literature:

2-Methylacetophenone; With titanium(IV) isopropylate; ammonia; In isopropyl alcohol; at 20 ℃;

With sodium tetrahydroborate; In isopropyl alcohol; at 20 ℃; for 2h;

DOI:10.1002/chir.22856

Reference yield: 50.0%

N-(1-(o-tolyl)ethyl)formamide (42071-03-4) → 1-(o-tolyl)ethanamine (42142-17-6)

Guidance literature:

With hydrogenchloride; In water; for 1h; Reflux; Inert atmosphere;

DOI:10.1039/c7ob02385e

upstream raw materials:

1-(2-methylphenyl)ethan-1-imine

1-(2-methylphenyl)ethanone oxime

2-Methylacetophenone

2-isothiochroman-4-one oxime

Downstream raw materials:

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

(R)-1-o-tolylethanamine hydrochloride

(S)-1-(2-methylphenyl)ethanamine hydrochloride

1-o-tolylethanamine hydrochloride