(1-Phenylethyl)(prop-2-EN-1-YL)amine

Base Information

• Chemical Name: (1-Phenylethyl)(prop-2-EN-1-YL)amine
• CAS No.: 66896-61-5
• Molecular Formula: C11H15N
• Molecular Weight: 161.247
• DSSTox Substance ID: DTXSID60985506
• Nikkaji Number: J1.794.154B
• Mol file: 66896-61-5.mol

Synonyms:66896-61-5;(1-PHENYLETHYL)(PROP-2-EN-1-YL)AMINE;N-(1-phenylethyl)prop-2-en-1-amine;Benzenemethanamine, alpha-methyl-N-2-propenyl-;MFCD03427204;alpha-Methylbenzylallylamine;Allyl-(1-phenylethyl)-amine;SCHEMBL479277;Allyl-(1-phenyl-ethyl)-amine;(+)-N-Allyl-a-methylbenzylamine;DTXSID60985506;N-allyl-N-alpha-methylbenzylamine;MFCD12165964;AKOS000224480;AKOS017281481;(+)-N-Allyl-.alpha.-methylbenzylamine;(S)-N-(.alpha.-methylbenzyl)allylamine;BS-17389;CS-0160441;FT-0639399;FT-0771650;D80854;EN300-162838

Chemical Property of (1-Phenylethyl)(prop-2-EN-1-YL)amine

Chemical Property:

• Vapor Pressure: 0.0855mmHg at 25°C
• Boiling Point: 225.6°C at 760 mmHg
• Flash Point: 89.4°C
• Density: 0.913g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 161.120449483
• Heavy Atom Count: 12
• Complexity: 125

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=CC=C1)NCC=C

Technology Process of (1-Phenylethyl)(prop-2-EN-1-YL)amine

There total 10 articles about (1-Phenylethyl)(prop-2-EN-1-YL)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: 96.0%

allyl alcohol (107-18-6) + rac-methylbenzylamine (618-36-0) → N-(α-methylbenzyl)-2-propenylamine (66896-61-5)

Guidance literature:

With ammonium hexafluorophosphate; [Pt(η3-C3H5)(DPP-Xantphos)]PF6; In toluene; acetonitrile; at 50 ℃; for 8h; Inert atmosphere;

DOI:10.1002/chem.200801197

Reference yield: 94.0%

N-allyl-N-(α-methylbenzyl)hydroxylamine (217189-23-6) → N-(α-methylbenzyl)-2-propenylamine (66896-61-5)

Guidance literature:

With hydrogenchloride; zinc; at 80 ℃; for 1h;

DOI:10.1039/b205323n

Reference yield: 84.0%

1-Phenylethanol (98-85-1,13323-81-4) + 1-amino-2-propene (107-11-9,30551-89-4) → N-(α-methylbenzyl)-2-propenylamine (66896-61-5)

Guidance literature:

1-Phenylethanol; With 2,2,6,6-tetramethyl-piperidine-N-oxyl; [bis(acetoxy)iodo]benzene; In dichloromethane; for 16h;

1-amino-2-propene; With sodium tris(acetoxy)borohydride; In dichloromethane; chemoselective reaction;

DOI:10.1021/ol201351a

upstream raw materials:

N-allyl-N-(α-methylbenzyl)hydroxylamine

(E)-1-phenylethanone oxime

acetophenone O-allyloxime

O-allyl-N-(α-methylbenzyl)hydroxylamine

Downstream raw materials:

N-Allyl-4-ethyl-N-(1-phenyl-ethyl)-benzenesulfonamide

N-(α-methylbenzyl)-2-chloro-3-methoxypropylamine

3-methylene-1-(1-phenylethyl)azetidin-2-one

N-allyl-N-(α-methylbenzyl)-4-hydroxybenzenesulfonamide