N,N,1-Trimethyl-3,3-diphenylallylamine

Base Information

• Chemical Name: N,N,1-Trimethyl-3,3-diphenylallylamine
• CAS No.: 29869-90-7
• Molecular Formula: C18H21 N
• Molecular Weight: 251.371
• European Community (EC) Number: 249-909-6
• UNII: A6FGC19UYP
• DSSTox Substance ID: DTXSID20903625
• Nikkaji Number: J286.978K
• Wikidata: Q27273694
• ChEMBL ID: CHEMBL2260843
• Mol file: 29869-90-7.mol

Synonyms:3-dimethylamino-1,1-diphenylbutene-(1);A-29;N,N-dimethyl-3,3-diphenyl-1-methylallylamine;N,N-dimethyl-3,3-diphenyl-1-methylallylamine hydrochloride;spasmolytic A29

Chemical Property of N,N,1-Trimethyl-3,3-diphenylallylamine

Chemical Property:

• Vapor Pressure: 1.83E-05mmHg at 25°C
• Boiling Point: 363.3°Cat760mmHg
• Flash Point: 156.4°C
• PSA: 3.24000
• Density: 0.989g/cm³
• LogP: 4.06840
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 251.167399674
• Heavy Atom Count: 19
• Complexity: 260

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N,N,1-Trimethyl-3,3-diphenylallylamine

There total 4 articles about N,N,1-Trimethyl-3,3-diphenylallylamine 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:

(+/-)-3-dimethylamino-1,1-diphenyl-butan-1-ol (4320-32-5) → dimethyl-(1-methyl-3,3-diphenyl-allyl)-amine (29869-90-7)

Guidance literature:

With potassium hydrogensulfate; at 150 ℃;

DOI:10.1021/jo01157a017

Reference yield:

phenylmagnesium bromide → dimethyl-(1-methyl-3,3-diphenyl-allyl)-amine (29869-90-7)

Guidance literature:

Multi-step reaction with 2 steps

1: diethyl ether

2: potassium hydrogen sulfate / 150 °C

With potassium hydrogensulfate; diethyl ether;

DOI:10.1021/jo01157a017

Reference yield:

→ dimethyl-(1-methyl-3,3-diphenyl-allyl)-amine (29869-90-7)

Guidance literature:

aus Verb. 1;

DOI:10.1002/ardp.19723050109

upstream raw materials:

(+/-)-3-dimethylamino-1,1-diphenyl-butan-1-ol

Downstream raw materials:

recipavrin