3-(2-Methylphenyl)propan-1-amine

Base Information

• Chemical Name: 3-(2-Methylphenyl)propan-1-amine
• CAS No.: 76293-74-8
• Molecular Formula: C₁₀H₁₅N
• Molecular Weight: 149.236
• European Community (EC) Number: 829-265-8
• Mol file: 76293-74-8.mol

Synonyms:3-(2-methylphenyl)propan-1-amine;76293-74-8;2-METHYL-BENZENEPROPANAMINE;2-Methyl-benzenepropylamine;3-(2-Methylphenyl)propylamine;SCHEMBL3863804;[3-(2-methylphenyl)propyl]amine;LUYOTDGHRZDHDB-UHFFFAOYSA-N;AKOS005266043;AB38679;BS-12128;EN300-59496;F79511;F9995-2099;Z424782962

Chemical Property of 3-(2-Methylphenyl)propan-1-amine

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 149.120449483
• Heavy Atom Count: 11
• Complexity: 101

Purity/Quality:

98%min ^*data from raw suppliers

3-(2-METHYLPHENYL)PROPAN-1-AMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=CC=C1CCCN

Technology Process of 3-(2-Methylphenyl)propan-1-amine

There total 5 articles about 3-(2-Methylphenyl)propan-1-amine 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:

3-(o-tolyl)propanenitrile (26016-32-0) → 3-(2-Methylphenyl)propylamine (76293-74-8)

Guidance literature:

With borane-THF; In tetrahydrofuran; at 60 ℃; for 0.666667h; Inert atmosphere;

DOI:10.1016/j.ejmech.2021.113697

Reference yield:

2-methylphenyl aldehyde (529-20-4) → 3-(2-Methylphenyl)propylamine (76293-74-8)

Guidance literature:

Multi-step reaction with 3 steps

1.1: sodium hydride / tetrahydrofuran / 0.83 h / 20 °C / Cooling with ice

1.2: 1 h / 20 °C / Cooling with ice

2.1: palladium 10% on activated carbon; hydrogen / methanol / 1 h / 20 °C / 1520.1 Torr

3.1: borane-THF / tetrahydrofuran / 0.67 h / 60 °C / Inert atmosphere

With borane-THF; palladium 10% on activated carbon; hydrogen; sodium hydride; In tetrahydrofuran; methanol;

DOI:10.1016/j.ejmech.2021.113697

Reference yield:

3-o-tolyl-propionic acid amide (103028-79-1) → 3-(2-Methylphenyl)propylamine (76293-74-8)

Guidance literature:

With lithium aluminium tetrahydride; diethyl ether;

upstream raw materials:

3-o-tolyl-propionic acid amide

[1,3]oxazinan-2-one

toluene

3-(o-tolyl)propanenitrile