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

Base Information

• Chemical Name: 1-(3-Methylphenyl)propan-2-amine
• CAS No.: 588-06-7
• Molecular Formula: C10H15N
• Molecular Weight: 149.236
• UNII: EZH69QJQ4C
• DSSTox Substance ID: DTXSID201017179
• Nikkaji Number: J371.909J
• Wikipedia: 3-Methylamphetamine
• Wikidata: Q4634168
• Mol file: 588-06-7.mol

Synonyms:3-methylamphetamine

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

Chemical Property:

• Boiling Point: 231.0±9.0 °C(Predicted)
• PKA: 10.19±0.10(Predicted)
• PSA: 26.02000
• Density: 0.938±0.06 g/cm3(Predicted)
• LogP: 2.58500
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 149.120449483
• Heavy Atom Count: 11
• Complexity: 111

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 4 articles about 1-(3-Methylphenyl)propan-2-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:

β-methyl-3-methylstyrene (17271-70-4) → 1-(3-toluyl)-2-propylamine (588-06-7)

Guidance literature:

With 10-phenyl-9-(2,4,6-trimethylphenyl)acridinium tetrafluoroborate; ammonium carbonate; 2-amino-benzenethiol; In dichloromethane; chlorobenzene; at 20 ℃; for 12h; Schlenk technique; Inert atmosphere; Sealed tube; Irradiation;

DOI:10.1002/anie.202016679

Reference yield:

1-(m-methylphenyl)-2-nitro-1-propene (86969-37-1) → 1-(3-toluyl)-2-propylamine (588-06-7)

Guidance literature:

With lithium aluminium tetrahydride;

DOI:10.1139/v71-524

Reference yield:

m-tolyl aldehyde (620-23-5) → 1-(3-toluyl)-2-propylamine (588-06-7)

Guidance literature:

Multi-step reaction with 2 steps

1: ammonium acetate

2: lithium aluminum hydride

With ammonium acetate; lithium aluminium tetrahydride;

DOI:10.1124/jpet.104.080101

upstream raw materials:

1-(m-methylphenyl)-2-nitro-1-propene

m-tolyl aldehyde

β-methyl-3-methylstyrene

Refernces

• 1、 Wee,Anderson,Baumann,Rothman,Blough,Woolverton, William L.. "Relationship between the serotonergic activity and reinforcing effects of a series of amphetamine analogs". . p. 848 - 854. Retrieved 2007/10/03.