3-Phenylpropylamine

Base Information

• Chemical Name: 3-Phenylpropylamine
• CAS No.: 2038-57-5
• Molecular Formula: C9H13 N
• Molecular Weight: 135.209
• Hs Code.: 29214990
• European Community (EC) Number: 218-012-1
• NSC Number: 87080
• UNII: P8326EZ31P
• DSSTox Substance ID: DTXSID10174307
• Nikkaji Number: J51.142K
• Wikidata: Q23978199
• Metabolomics Workbench ID: 148862
• ChEMBL ID: CHEMBL276864
• Mol file: 2038-57-5.mol

Synonyms:3-phenylpropylamine

Chemical Property of 3-Phenylpropylamine

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 0.134mmHg at 25°C
• Melting Point: 116°C (estimate)
• Refractive Index: n20/D 1.524(lit.)
• Boiling Point: 221ºC
• PKA: pK1:10.39(+1) (25°C)
• Flash Point: 195ºC
• PSA: 26.02000
• Density: 0.951 g/mL at 25 °C(lit.)
• LogP: 2.27820
• Storage Temp.: Store below +30°C.
• Water Solubility.: Soluble in Chloroform, Ethyl Acetate. Not miscible in water.
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 135.104799419
• Heavy Atom Count: 10
• Complexity: 74.8

Purity/Quality:

98.0%Min ^*data from raw suppliers

3-Phenylpropylamine ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Amines, Aromatic
• Canonical SMILES: C1=CC=C(C=C1)CCCN
• Uses: 3-Phenylpropylamine is an compound used for the synthesis of various pharmaceuticals. 3-Phenylpropylamine is is a compound used for the synthesis of various pharmaceuticals.

Technology Process of 3-Phenylpropylamine

There total 120 articles about 3-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: 99.3%

2-(3-phenylpropyl)-1H-isoindole-1,3(2H)-dione (54981-86-1) → 3-Phenylpropan-1-amine (2038-57-5)

Guidance literature:

With hydrazine hydrate; In methanol; for 26h; Reflux; Industrial scale;

Reference yield: 99.0%

dihydrocinnamonitrile (645-59-0) → 3-Phenylpropan-1-amine (2038-57-5)

Guidance literature:

With [Ru(H)(BH₄)(CO)(PPh₃)(3-(di-tert-butylphosphino)-N-((1-methyl-1H-imidazol-2 yl)methyl)propylamine)]; hydrogen; In isopropyl alcohol; at 70 ℃; for 3h; Inert atmosphere; Autoclave;

DOI:10.1002/chem.201504709

Reference yield: 96.0%

2-((3-phenylpropyl)amino)acetonitrile (154582-41-9) → 3-Phenylpropan-1-amine (2038-57-5)

Guidance literature:

With hydrogen; platinum(IV) oxide; In ethanol;

DOI:10.1016/S0040-4039(00)60401-X

upstream raw materials:

(E)-3-phenylpropenal

cinnamonitrile

ethanol

(1E,2Z)-3-phenylacrylaldehyde oxime

Downstream raw materials:

bis-(3-phenyl-propyl)-amine

3-phenylpropylisocyanate

N,N'-bis-(3-phenyl-propyl)-thiourea

(3-phenyl-propyl)-guanidine; sulfate

Refernces

• 1、 Fan, Xiaomeng,Gao, Jin,Gao, Mingxia,Jia, Xiuquan,Ma, Jiping,Xu, Jie. "Self-regulated catalysis for the selective synthesis of primary amines from carbonyl compounds". supporting information. p. 7115 - 7121. Retrieved 2021/09/28.
• 2、 Carter, Eve M.,Hailes, Helen C.,Sheppard, Tom D.,Subrizi, Fabiana,Ward, John M.. "Direct Conversion of Hydrazones to Amines using Transaminases". . p. 4520 - 4523. Retrieved 2021/09/20.