2-Methylphenethylamine

Base Information

• Chemical Name: 2-Methylphenethylamine
• CAS No.: 55755-16-3
• Molecular Formula: C9H13N
• Molecular Weight: 135.209
• Hs Code.: 29214990
• European Community (EC) Number: 674-091-6
• UNII: B2VHM2W3X9
• DSSTox Substance ID: DTXSID60366371
• Nikkaji Number: J28.382G
• Wikipedia: 2-Methylphenethylamine
• Wikidata: Q18345111
• ChEMBL ID: CHEMBL451372
• Mol file: 55755-16-3.mol

Synonyms:2-(2-methylphenyl)ethanamine

Chemical Property of 2-Methylphenethylamine

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 0.105mmHg at 25°C
• Melting Point: 116°C (estimate)
• Refractive Index: 1.534-1.536
• Boiling Point: 221.8 °Cat760mmHg
• PKA: 9.91±0.10(Predicted)
• Flash Point: 92.5 °C
• PSA: 26.02000
• Density: 0.95 g/cm³
• LogP: 2.19650
• Sensitive.: Air Sensitive
• Water Solubility.: Not miscible or difficult to mix with water.
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 135.104799419
• Heavy Atom Count: 10
• Complexity: 90.7

Purity/Quality:

99% ^*data from raw suppliers

2-Methylphenethylamine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C,Xi
• Statements: 34-52-41-37/38
• Safety Statements: 45-36/37/39-26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1CCN
• Uses: It is employed as intermediate for pharmaceutical and organic synthesis

Technology Process of 2-Methylphenethylamine

There total 9 articles about 2-Methylphenethylamine 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: 94.0%

2-tolylmethylnitrile (22364-68-7) → 2-methylphenethylamine (55755-16-3)

Guidance literature:

With sodium tetrahydroborate; trifluoroacetic acid;

DOI:10.3987/R-1987-10-2683

Reference yield:

2-tolylmethylnitrile (22364-68-7) → o-methylphenylacetic acid (644-36-0) + 2-methylphenethylamine (55755-16-3)

Guidance literature:

With ethanol; sodium;

Reference yield:

ethanol (64-17-5) + 2-tolylmethylnitrile (22364-68-7) → o-methylphenylacetic acid (644-36-0) + 2-methylphenethylamine (55755-16-3)

Guidance literature:

upstream raw materials:

3-o-tolyl-propionic acid amide

2-tolylmethylnitrile

methyl-2 β-nitrostyrene

ethanol

Downstream raw materials:

2-(2-methylphenyl)ethylformamide

2-(2-methylcyclohexyl)ethan-1-amine

2-(2-o-Tolyl-ethyl)-isoindole-1,3-dione

5-methylisoquinoline

Refernces

• 1、 -. "METHOD OF HYDROBORATING ALCOHOLS AND REDUCING FUNCTIONAL GROUPS USING A RECYCLABLE FLUOROUS BORANE-SULFIDE". Page 18; 27-28. . Retrieved 2010/02/06.
• 2、 Liu, Mao-Chin,Lin, Tai-Shun,Penketh, Philip,Sartorelli, Alan C.. "Synthesis and Antitumor Activity of 4- and 5-Substituted Derivatives of Isoquinoline-1-carboxaldehyde Thiosemicarbazone". . p. 4234 - 4243. Retrieved 2007/10/03.