Allyl-diphenyl-amine

Base Information

• Chemical Name: Allyl-diphenyl-amine
• CAS No.: 65178-51-0
• Molecular Formula: C15H15 N
• Molecular Weight: 209.291
• Hs Code.: 2921440000
• DSSTox Substance ID: DTXSID80443734
• Nikkaji Number: J637.454I
• Wikidata: Q82261676
• Mol file: 65178-51-0.mol

Synonyms:ALLYL-DIPHENYL-AMINE;65178-51-0;N-PHENYL-N-(PROP-2-EN-1-YL)ANILINE;N-phenyl-N-prop-2-enylaniline;Diphenylallylamine;n-allyldi-phenylamine;SCHEMBL39946;DTXSID80443734;ADAL1242887;AKOS003654117

Chemical Property of Allyl-diphenyl-amine

Chemical Property:

• PSA: 3.24000
• LogP: 4.01070
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 209.120449483
• Heavy Atom Count: 16
• Complexity: 182

Purity/Quality:

99% ^*data from raw suppliers

ALLYL-DIPHENYL-AMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCN(C1=CC=CC=C1)C2=CC=CC=C2

Technology Process of Allyl-diphenyl-amine

There total 11 articles about Allyl-diphenyl-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: 90.0%

allyl ethyl carbonate (1469-70-1) + diphenylamine (122-39-4) → N-allyldiphenylamine (65178-51-0)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; for 5h; Ambient temperature;

DOI:10.1021/jo980209j

Reference yield: 85.0%

Allyl acetate (591-87-7) + diphenylamine (122-39-4) → N-allyldiphenylamine (65178-51-0)

Guidance literature:

With triphenylphosphine; platinum(II) acetylacetonate; In water; for 3h; Heating;

DOI:10.1016/j.tet.2008.07.037

Reference yield: 85.0%

n-butyllithium (109-72-8,29786-93-4) + diphenylamine (122-39-4) + allyl bromide (106-95-6) → N-allyldiphenylamine (65178-51-0)

Guidance literature:

n-butyllithium; diphenylamine; In tetrahydrofuran; hexane; at -78 - 20 ℃; Inert atmosphere;

allyl bromide; In tetrahydrofuran; hexane; at -78 ℃; for 2h; Inert atmosphere;

DOI:10.1039/c6cc03947b

upstream raw materials:

allyl benzenesulfonate

diphenylamine

terephthalonitrile radical anion

3-chloroprop-1-ene

Downstream raw materials:

heptanal

(3R,4S)-3-(diphenylamino)-1-octen-4-ol

(3S,4R)-3-(diphenylamino)-1-octen-4-ol

(E)-4,N¹,N¹,N⁴-Tetraphenyl-hex-1-ene-1,4-diamine