2-Phenylpropylamine

Base Information

• Chemical Name: 2-Phenylpropylamine
• CAS No.: 582-22-9
• Molecular Formula: C9H13 N
• Molecular Weight: 135.209
• Hs Code.: 29214900
• European Community (EC) Number: 209-479-2
• NSC Number: 272273
• UNII: 6XL7O3V13L
• DSSTox Substance ID: DTXSID10870630
• Nikkaji Number: J53.744F,J76.815D
• Wikipedia: %CE%92-Methylphenethylamine
• Wikidata: Q8083976
• ChEMBL ID: CHEMBL158578
• Mol file: 582-22-9.mol

Synonyms:beta-methylphenethylamine;beta-methylphenyl-ethylamine;beta-methylphenylethylamine;BMPEA compound

Chemical Property of 2-Phenylpropylamine

Chemical Property:

• Appearance/Colour: colorless liquid
• Vapor Pressure: 0.197mmHg at 25°C
• Melting Point: 116°C (estimate)
• Refractive Index: n20/D 1.524(lit.)
• Boiling Point: 210 °C at 760 mmHg
• PKA: 9.92±0.10(Predicted)
• Flash Point: 84.6 °C
• PSA: 26.02000
• Density: 0.93 g/mL at 25 °C(lit.)
• LogP: 2.44910
• Sensitive.: Air Sensitive
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 135.104799419
• Heavy Atom Count: 10
• Complexity: 84.7

Purity/Quality:

99% ^*data from raw suppliers

β-Methylphenethylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): CXi
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-27-28-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CN)C1=CC=CC=C1
• Uses: 2-PHENYLPROPYLAMINE was used for molecular imprinting and to study the space filling models depicting minimized structures for each enantiomer 1 . β-Methylphenethylamine was used for molecular imprinting and to study the space filling models depicting minimized structures for each enantiomer.

Technology Process of 2-Phenylpropylamine

There total 83 articles about 2-Phenylpropylamine 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: 98.0%

1-phenylethyl cyanide (1823-91-2) → 2-phenylpropylamine (582-22-9)

Guidance literature:

With samarium diiodide; water; triethylamine; In tetrahydrofuran; at 20 ℃; for 0.0833333h; Inert atmosphere;

DOI:10.1021/ol403668e

Reference yield: 96.0%

1-nitro-2-phenylpropane (109757-73-5,7796-75-0) → 2-phenylpropylamine (582-22-9)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In methanol; for 24h;

Reference yield: 94.9%

(R)-2-(2-phenylpropyl)isoindoline-1,3-dione (112424-29-0) → 2,3-dihydrophthalazine-1,4-dione (1445-69-8) + (R)-2-phenylpropylamine (582-22-9,17596-79-1,28163-64-6,45789-52-4)

Guidance literature:

With hydrazine; In toluene; at 20 - 95 ℃; for 5h;

upstream raw materials:

phenyl(formyl)acetonitrile

1-phenylethyl cyanide

1-amino-2-propene

benzene

Downstream raw materials:

phenpromethamine

rac-N-(2-phenylpropyl)formamide

2-cyclohexylpropan-1-amine

2-(4-nitro-phenyl)-propylamine

Refernces

• 1、 Du, Yi-Dan,Chen, Bi-Hong,Shu, Wei. "Direct Access to Primary Amines from Alkenes by Selective Metal-Free Hydroamination". supporting information. p. 9875 - 9880. Retrieved 2021/03/29.
• 2、 Cui, Zhibing,Liu, Jianguo,Liu, Qiying,Ma, Longlong,Singh, Thishana,Wang, Chenguang,Wang, Nan,Zhu, Yuting. "Facile synthesis of controllable graphene-co-shelled reusable Ni/NiO nanoparticles and their application in the synthesis of amines under mild conditions". supporting information. p. 7387 - 7397. Retrieved 2020/11/19.