(R)-(+)-N-allyl-alpha-methylbenzylamine

Base Information

• Chemical Name: (R)-(+)-N-allyl-alpha-methylbenzylamine
• CAS No.: 126275-19-2
• Molecular Formula: C11H15 N
• Molecular Weight: 161.247
• Hs Code.: 2921499090
• European Community (EC) Number: 624-061-3
• Nikkaji Number: J570.400F
• Wikidata: Q76146078
• Mol file: 126275-19-2.mol

Synonyms:(R)-(+)-N-allyl-alpha-methylbenzylamine;126275-19-2;37696-17-6;N-[(1R)-1-phenylethyl]prop-2-en-1-amine;(1R)-N-Allyl-1-phenylethanamine;Benzenemethanamine, alpha-methyl-N-2-propen-1-yl-, (alphaR)-;MFCD03427204;(R)-(+)-N-(2-ALLYL)-PHENYLETHYLAMINE;SCHEMBL8119644;GGNXWCWCESEPFK-SNVBAGLBSA-N;(R)-N-allyl-alpha-methylbenzylamine;AKOS013153301;(r)-N-allyl-N-(alpha-methylbenzyl)amine;(R)-(+)-N-allyl- alpha -methylbenzylamine;(R)-(+)-N-allyl-alpha-methylbenzylamine, 97%;J-005355;Benzenemethanamine,a-methyl-N-2-propen-1-yl-,(ar)-

Chemical Property of (R)-(+)-N-allyl-alpha-methylbenzylamine

Chemical Property:

• Vapor Pressure: 0.0855mmHg at 25°C
• Refractive Index: n20/D 1.5145(lit.)
• Boiling Point: 58-59 °C1 mm Hg(lit.)
• Flash Point: 187 °F
• PSA: 12.03000
• Density: 0.919 g/mL at 25 °C(lit.)
• 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:

≥98% ^*data from raw suppliers

(R)-(+)-N-allyl-α-methylbenzylamine 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 23-26-36/37/39-45

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 (R)-(+)-N-allyl-alpha-methylbenzylamine

There total 5 articles about (R)-(+)-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%

(R)-1-phenyl-ethyl-amine (3886-69-9) + allyl bromide (106-95-6) → (R)-N-allyl (1-phenylethyl)amine (126275-19-2)

Guidance literature:

(R)-1-phenyl-ethyl-amine; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h;

allyl bromide; In tetrahydrofuran; hexane; at -78 - 20 ℃;

DOI:10.1021/acs.orglett.0c00056

Reference yield:

methyl {N-allyl-N-[(1R)-1-phenylethyl]amino}propanoate (924276-59-5) → (R)-N-allyl (1-phenylethyl)amine (126275-19-2)

Guidance literature:

methyl {N-allyl-N-[(1R)-1-phenylethyl]amino}propanoate; With lithium diisopropyl amide; In diethyl ether;

With zinc dibromide; In diethyl ether; at -60 ℃;

DOI:10.1021/jo061603h

Reference yield:

N-(1-phenylethylidene)prop-2-en-1-amine (35021-93-3) → (S)-N-(1-phenylethyl)prop-2-en-1-amine (115914-08-4) + (R)-N-allyl (1-phenylethyl)amine (126275-19-2)

Guidance literature:

With N,N'-dimethyl-(R)-1,1'-binaphthyldiamine-bis-2-pyridinecarboxyamide; trichlorosilane; In dichloromethane; at 0 ℃; for 12h; optical yield given as %ee; stereoselective reaction; Inert atmosphere;

DOI:10.1002/ejoc.200900524

upstream raw materials:

(R)-1-phenyl-ethyl-amine

allyl bromide

methyl {N-allyl-N-[(1R)-1-phenylethyl]amino}propanoate

N-(1-phenylethylidene)prop-2-en-1-amine

Downstream raw materials:

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

(3R,5E,αR)-methyl 3-(N-allyl-N-α-methylbenzylamino)hept-5-enoate