1-Phenylpropan-1-amine

Base Information

• Chemical Name: 1-Phenylpropan-1-amine
• CAS No.: 2941-20-0
• Molecular Formula: C9H13N
• Molecular Weight: 135.209
• Hs Code.: 2921499090
• European Community (EC) Number: 608-356-4
• DSSTox Substance ID: DTXSID30859841
• Nikkaji Number: J303.696K
• Mol file: 2941-20-0.mol

Synonyms:1-phenylpropan-1-amine;2941-20-0;alpha-Ethylbenzylamine;1-Phenylpropylamine;1-phenyl-1-propanamine;alpha-Ethylbenzenemethanamine;alpha-Phenylpropylamine;35600-74-9;1-Phenyl-propylamine;BENZYLAMINE, alpha-ETHYL-;a-ethylbenzylamine;MFCD00038169;EC 608-356-4;(R)-(+)-1-Amino-1-phenylpropane;(S)-alpha-ethylbenzylamine;Phenylpropan-1-Amine;1-phenyl-propyl-amine;alpha -ethylbenzylamine;(s)-a-ethylbenzylamine;1-(phenyl)-propylamine;(RS)-1-phenylpropylamine;1-Phenyl-2-methylethylamine;SCHEMBL43945;alpha-Ethylbenzylamine, 97%;DTXSID30859841;Benzenemethanamine, .alpha.-ethyl;CHEBI:153571;STR04886;STK400150;AKOS000123098;AKOS017258862;AB91926;SB44721;SB45120;LS-43356;A5631;CS-0204798;FT-0605096;FT-0634571;EN300-34041;F78690;A819886;J-017499;Z1262252904;4-Chloro-2-(Z)-Methoxycarbonylmethoxyimino-3-oxobutyricacid

Chemical Property of 1-Phenylpropan-1-amine

Chemical Property:

• Vapor Pressure: 26.5Pa at 20℃
• Melting Point: 116°C (estimate)
• Refractive Index: n20/D 1.519(lit.)
• Boiling Point: 203.9 °C at 760 mmHg
• PKA: 9.34±0.10(Predicted)
• Flash Point: 85.1 °C
• PSA: 26.02000
• Density: 0.944 g/cm³
• LogP: 2.79670
• XLogP3: 1.7
• 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:

99.9% ^*data from raw suppliers

1-Phenylpropan-1-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): CXi
• Hazard Codes: C,Xi
• Statements: 22-34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC(C1=CC=CC=C1)N

Technology Process of 1-Phenylpropan-1-amine

There total 117 articles about 1-Phenylpropan-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: 98.0%

2-Methyl-propane-2-sulfinic acid [1-phenyl-prop-(E)-ylidene]-amide → 1-phenylpropylamine (2941-20-0,3082-64-2,3789-59-1,35600-74-9)

Guidance literature:

2-Methyl-propane-2-sulfinic acid [1-phenyl-prop-(E)-ylidene]-amide; With [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂; potassium tert-butylate; 2-Amino-2-methyl-1-propanol; In isopropyl alcohol; at 50 ℃; for 2h; Molecular sieve;

With hydrogenchloride; In methanol; optical yield given as %ee; diastereoselective reaction;

DOI:10.1016/j.tetlet.2010.12.031

Reference yield: 97.0%

triethyl borane (97-94-9) + (1S,3S,4R)-2-benzyl-3-[(1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]-2-thioniabicyclo[2.2.1]heptane tetrafluoroborate → 1-phenylpropylamine (2941-20-0,3082-64-2,3789-59-1,35600-74-9)

Guidance literature:

(1S,3S,4R)-2-benzyl-3-[(1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]-2-thioniabicyclo[2.2.1]heptane tetrafluoroborate; With lithium hexamethyldisilazane; In tetrahydrofuran; dichloromethane; at -78 ℃; for 1h;

triethyl borane; In tetrahydrofuran; dichloromethane; at -100 - 0 ℃;

With hydroxylamine-O-sulfonic acid; In tetrahydrofuran; dichloromethane; at 0 - 20 ℃; Further stages.;

DOI:10.1021/ja074110i

Reference yield: 97.0%

1-phenyl-propan-1-one (93-55-0) → 1-phenylpropylamine (2941-20-0,3082-64-2,3789-59-1,35600-74-9)

Guidance literature:

With Candida boidinii formate dehydrogenase; Geobacillus stearothermophilus ε‐deaminating L‐lysine dehydrogenase variant 22; nicotinamide adenine dinucleotide; In aq. buffer; at 50 ℃; for 48h; pH=8.5; Reagent/catalyst; Enzymatic reaction;

DOI:10.1002/chem.202003140

upstream raw materials:

propiophenone oxime

ethyl-(1-phenyl-propenyl)-ether

bis-(1-phenyl-propylidene)-hydrazine

1-phenyl-propan-1-one

Downstream raw materials:

N-(1-phenylpropyl)acetamide

N-benzyl-N'-(1-phenyl-propyl)-ethylenediamine

1-cyclohexylpropan-1-amine

(R)-1-phenylpropylamine

Refernces

• 1、 Tseliou, Vasilis,Schilder, Don,Masman, Marcelo F.,Knaus, Tanja,Mutti, Francesco G.. "Generation of Oxidoreductases with Dual Alcohol Dehydrogenase and Amine Dehydrogenase Activity". supporting information. p. 3315 - 3325. Retrieved 2020/12/11.
• 2、 Li, Jianjiong,Wang, Yingang,Wu, Qiaqing,Yao, Peiyuan,Yu, Shanshan,Zhu, Dunming. "Simultaneous Preparation of (S)-2-Aminobutane and d -Alanine or d -Homoalanine via Biocatalytic Transamination at High Substrate Concentration". supporting information. . Retrieved 2022/03/01.