(S)-N-allyl-alpha-methylbenzylamine

Base Information

• Chemical Name: (S)-N-allyl-alpha-methylbenzylamine
• CAS No.: 115914-08-4
• Molecular Formula: C11H15 N
• Molecular Weight: 161.247
• European Community (EC) Number: 621-596-4
• DSSTox Substance ID: DTXSID90447586
• Nikkaji Number: J1.031.672C
• Wikidata: Q82266458
• Mol file: 115914-08-4.mol

Synonyms:(S)-N-allyl-alpha-methylbenzylamine;115914-08-4;(S)-N-(1-phenylethyl)prop-2-en-1-amine;(S)-(-)-N-ALLYL-ALPHA-METHYLBENZYLAMINE;N-[(1S)-1-phenylethyl]prop-2-en-1-amine;SCHEMBL1387573;DTXSID90447586;GGNXWCWCESEPFK-JTQLQIEISA-N;MFCD02683541;AKOS017391682;AT34475

Chemical Property of (S)-N-allyl-alpha-methylbenzylamine

Chemical Property:

• Vapor Pressure: 0.0855mmHg at 25°C
• Refractive Index: n20/D 1.5145(lit.)
• Boiling Point: 225.6°Cat760mmHg
• Flash Point: 89.4°C
• PSA: 12.03000
• Density: 0.913g/cm³
• LogP: 2.91410
• 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:

97% ^*data from raw suppliers

(S)-(-)-N-ALLYL-ALPHA-METHYLBENZYLAMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=CC=C1)NCC=C
• Isomeric SMILES: C[C@@H](C1=CC=CC=C1)NCC=C

Technology Process of (S)-N-allyl-alpha-methylbenzylamine

There total 19 articles about (S)-N-allyl-alpha-methylbenzylamine 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: 89.0%

(S)-N-allyl-N-(1-phenylethyl)prop-2-en-1-amine (160865-32-7) → (S)-N-(1-phenylethyl)prop-2-en-1-amine (115914-08-4)

Guidance literature:

With Thiosalicylic acid; 1,4-di(diphenylphosphino)-butane; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In tetrahydrofuran; at 20 ℃; for 0.5h;

DOI:10.1016/0040-4039(95)00003-U

Reference yield: 86.0%

N-allyl-α-methylbenzylamine hydrochloride → (S)-N-(1-phenylethyl)prop-2-en-1-amine (115914-08-4)

Guidance literature:

With sodium hydroxide; In water; at 0 - 5 ℃; for 0.166667h;

DOI:10.1021/op034094j

Reference yield: 76.0%

(S)-1-phenyl-ethylamine (2627-86-3) + allyl bromide (106-95-6) → (S)-N-(1-phenylethyl)prop-2-en-1-amine (115914-08-4)

Guidance literature:

DOI:10.1016/S0957-4166(96)00466-1

upstream raw materials:

(S)-1-phenyl-ethylamine

allyl bromide

3-chloroprop-1-ene

(S)-N-allyl-N-(1-phenylethyl)prop-2-en-1-amine

Downstream raw materials:

(S)-N-allyl-N-(1-phenylethyl)methoxycarbonylacetamide

Refernces

• 1、 Kerres, Sabine,Plut, Eva,Malcherek, Simon,Rehbein, Julia,Reiser, Oliver. "Visible Light-Mediated Synthesis of Enantiopure g-Cyclobutane Amino and 3-(Aminomethyl)-5-phenylpentanoic Acids". supporting information. p. 1400 - 1407. Retrieved 2019/10/28.
• 2、 Guizzett, Stefania,Benaglia, Maurizio,Celentano, Giuseppe. "1,1′-Binaphthyldiamine-based lewis bases as readily available and efficient grganocatalysts for the reduction of N-Aryl and N-Alkyl ketimines". experimental part. p. 3683 - 3687. Retrieved 2009/12/03.