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

Base Information

• Chemical Name: 3-(3-Methylphenyl)propan-1-amine
• CAS No.: 104774-85-8
• Molecular Formula: C10H15N
• Molecular Weight: 149.236
• Hs Code.: 2921499090
• DSSTox Substance ID: DTXSID20506195
• Wikidata: Q82361840
• Mol file: 104774-85-8.mol

Synonyms:104774-85-8;3-(3-methylphenyl)propan-1-amine;3-(3-Methylphenyl)-1-propanamine;3-(m-Tolyl)propan-1-amine;MFCD07374074;Benzenepropanamine, 3-methyl-;3-M-TOLYL-PROPYLAMINE;[3-(3-methylphenyl)propyl]amine;3-Methylbenzenepropanamine;SCHEMBL2673980;DTXSID20506195;N-(3-Methylphenethyl)methylamine;RPZPBNSHVQMWNY-UHFFFAOYSA-N;AKOS000430753;AB38680;NS-01139;FT-0702037;3-(3-Methylphenyl)-1-propanamine, AldrichCPR;EN300-865612;F78830;F9995-2103

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

Chemical Property:

• Vapor Pressure: 0.042mmHg at 25°C
• Refractive Index: 1.527
• Boiling Point: 238.632°C at 760 mmHg
• PKA: 10.41±0.10(Predicted)
• Flash Point: 103.04°C
• PSA: 26.02000
• Density: 0.94g/cm³
• LogP: 2.58660
• XLogP3: 2.2
• 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-(3-Methylphenyl)propan-1-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)CCCN

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

There total 4 articles about 3-(3-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: 82.0%

→ 3-(m-tolyl)propan-1-amine (104774-85-8)

Guidance literature:

Reference yield:

m-tolyl aldehyde (620-23-5) → 3-(m-tolyl)propan-1-amine (104774-85-8)

Guidance literature:

Multi-step reaction with 3 steps

1: potassium tert-butylate / tetrahydrofuran / 1 h / 0 - 25 °C

2: 5%-palladium/activated carbon; hydrogen / ethyl acetate / 1 h / 30 °C / 760.05 Torr

3: borane-THF / tetrahydrofuran / 2 h / 60 °C / Inert atmosphere

With borane-THF; 5%-palladium/activated carbon; potassium tert-butylate; hydrogen; In tetrahydrofuran; ethyl acetate; 1: |Wittig Olefination;

DOI:10.1016/j.bmc.2019.115178

Reference yield:

3-methyl-cinnamonitrile (28446-71-1) → 3-(m-tolyl)propan-1-amine (104774-85-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 5%-palladium/activated carbon; hydrogen / ethyl acetate / 1 h / 30 °C / 760.05 Torr

2: borane-THF / tetrahydrofuran / 2 h / 60 °C / Inert atmosphere

With borane-THF; 5%-palladium/activated carbon; hydrogen; In tetrahydrofuran; ethyl acetate;

DOI:10.1016/j.bmc.2019.115178

upstream raw materials:

2-(m-Tolyl)propionsaeurenitril

m-tolyl aldehyde

3-methyl-cinnamonitrile

Downstream raw materials:

1-Phenoxy-3-(3-m-tolyl-propylamino)-propan-2-ol; hydrochloride

Refernces

• 1、 Yi, Ce,Xing, Gang,Wang, Siqi,Li, Xiaoran,Liu, Yichuang,Li, Jinyan,Lin, Bin,Woo, Anthony Yiu-Ho,Zhang, Yuyang,Pan, Li,Cheng, Maosheng. "Design, synthesis and biological evaluation of 8-(2-amino-1-hydroxyethyl)-6-hydroxy-1,4-benzoxazine-3(4H)-one derivatives as potent β2-adrenoceptor agonists". . . Retrieved 2019/11/26.
• 2、 -. "Novel phenylacetamide derivatives and processes for the preparation thereof". . . Retrieved 2008/06/13.