1-(4-Methylphenyl)propan-1-amine

Base Information

• Chemical Name: 1-(4-Methylphenyl)propan-1-amine
• CAS No.: 174636-87-4
• Molecular Formula: C10H15N
• Molecular Weight: 149.236
• Hs Code.: 2921499090
• DSSTox Substance ID: DTXSID70395192
• Nikkaji Number: J3.431.632E
• Mol file: 174636-87-4.mol

Synonyms:1-(4-methylphenyl)propan-1-amine;174636-87-4;1-p-Tolyl-propylamine;1-(p-Tolyl)propan-1-amine;1-(4-Methylphenyl)-1-propanamine;1-(p-Tolyl)propylamine;SCHEMBL8286101;DTXSID70395192;FWTZOQCAVLMPJE-UHFFFAOYSA-N;HMS1783L10;MFCD02244256;STK317450;AKOS000264637;AKOS016340852;LS-01132;BB 0217814;CS-0116596;FT-0677934;EN300-10904;1-(4-Methylphenyl)propan-1-amine, AldrichCPR;N12295;Z90662186

Chemical Property of 1-(4-Methylphenyl)propan-1-amine

Chemical Property:

• Vapor Pressure: 0.074mmHg at 25°C
• Boiling Point: 228.3°C at 760 mmHg
• Flash Point: 96.6°C
• PSA: 26.02000
• Density: 0.935g/cm³
• LogP: 3.10510
• 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: 103

Purity/Quality:

98%Min ^*data from raw suppliers

1-(4-Methylphenyl)propan-1-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(4-Methylphenyl)propan-1-amine

There total 3 articles about 1-(4-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: 95.0%

4'-methylpropiophenone (5337-93-9) → 1-(4-methylphenyl)propan-1-amine (174636-87-4,239105-47-6)

Guidance literature:

With formic acid; ammonium formate; C₂₁H₂₄ClIrN₂O; In methanol; for 8h; Inert atmosphere; Schlenk technique; Reflux;

DOI:10.1039/d1ob01710a

Reference yield:

C10H11F2NO → 1-(4-methylphenyl)propan-1-amine (174636-87-4,239105-47-6)

Guidance literature:

With 20% palladium hydroxide-activated charcoal; hydrogen; In ethanol; at 10 - 35 ℃; for 16h;

Reference yield:

1-(4-(difluoromethyl)phenyl)propan-1-one → 1-(4-methylphenyl)propan-1-amine (174636-87-4,239105-47-6)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine; hydroxylamine hydrochloride / ethanol / 16 h / 10 - 35 °C

2: hydrogen; 20% palladium hydroxide-activated charcoal / ethanol / 16 h / 10 - 35 °C

With 20% palladium hydroxide-activated charcoal; hydroxylamine hydrochloride; hydrogen; triethylamine; In ethanol;

upstream raw materials:

4'-methylpropiophenone

Downstream raw materials:

4-(3,4-dioxo-2-(1-P-tolylpropylamino)cyclobut-1-enylamino)-3-hydroxy-N,N-dimethylpicolinamide