N-Methyl-3,3-diphenylpropylamine

Base Information

• Chemical Name: N-Methyl-3,3-diphenylpropylamine
• CAS No.: 28075-29-8
• Molecular Formula: C16H19N
• Molecular Weight: 225.334
• Hs Code.: 2921499090
• European Community (EC) Number: 248-821-5
• UNII: WL47LGK6P8
• DSSTox Substance ID: DTXSID00182350
• Nikkaji Number: J250.644K
• Wikidata: Q72490344
• Pharos Ligand ID: XYAQ8MRBFPRA
• ChEMBL ID: CHEMBL593494
• Mol file: 28075-29-8.mol

Synonyms:N-Methyl-3,3-diphenylpropylamine;28075-29-8;N-methyl-3,3-diphenylpropan-1-amine;EINECS 248-821-5;WL47LGK6P8;(3,3-Diphenylpropyl)methylamine;Diphenylpropyl-methylamin;D02GNN;UNII-WL47LGK6P8;CHEMBL593494;SCHEMBL3638413;BDBM35933;Methyl(3,3-diphenylpropyl)amine;DTXSID00182350;AMY15411;MFCD08458400;N-methyl-3,3-diphenyl-1-propanamine;AKOS015964873;CS-O-31771;N-methyl-3,3-diphenyl-propan-1-amine;SB79656;(3,3-DIPHENYLPROPYL)(METHYL)AMINE;FT-0649309;PROPYLAMINE, N-METHYL-3,3-DIPHENYL-;D87856;A819315;W-107076

Chemical Property of N-Methyl-3,3-diphenylpropylamine

Chemical Property:

• Appearance/Colour: the white crystals
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.549
• Boiling Point: 347.374 °C at 760 mmHg
• PKA: 10.48±0.10(Predicted)
• Flash Point: 164.5 °C
• PSA: 12.03000
• Density: 0.989 g/cm³
• LogP: 3.81890
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 225.151749610
• Heavy Atom Count: 17
• Complexity: 172

Purity/Quality:

99% ^*data from raw suppliers

N-Methyl-3,3-diphenylpropylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNCCC(C1=CC=CC=C1)C2=CC=CC=C2
• Uses: N-Methyl-3,3-diphenylpropylamine is an intermediate for the synthesis of SNRI-NMDA antagonist and neuroprotectants.

Technology Process of N-Methyl-3,3-diphenylpropylamine

There total 13 articles about N-Methyl-3,3-diphenylpropylamine 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: 83.0%

3-methylamino-1-phenylpropan-1-ol (42142-52-9) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → N-methyl-3,3-diphenylpropylamine (28075-29-8)

Guidance literature:

With trifluorormethanesulfonic acid;

DOI:10.1021/ol016408y

Reference yield: 66.0%

3,3-diphenylpropanoic acid N-methylamide (348607-76-1) → N-methyl-3,3-diphenylpropylamine (28075-29-8)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 4h;

DOI:10.1016/j.tet.2014.11.033

Reference yield: 23.0%

→ N-methyl-3,3-diphenylpropylamine (28075-29-8)

Guidance literature:

With trifluoroacetic acid; at 0 ℃; Inert atmosphere;

for 15h; Heating; Sealed tube; Inert atmosphere;

upstream raw materials:

3-methylamino-1-phenylpropan-1-ol

benzene

benzyl-methyl-amine

3,3-diphenylpropanoic acid N-methylamide

Downstream raw materials:

4-[N-(3,3-diphenylpropyl)-N-methylamino]-2-butanone

lercanidipine hydrochloride

N¹-(3,3-Diphenyl-propyl)-N¹-methyl-pentane-1,5-diamine

3-(5-chloro-4-(4-(methylsulfonamido)-phenyl)thiazol-2-yl)-1-(3,3-diphenylpropyl)-1-methylurea

Refernces

• 1、 Zakusilo, Dmitry N.,Ryabukhin, Dmitry S.,Boyarskaya, Irina A.,Yuzikhin, Oleg S.,Vasilyev, Aleksander V.. "Tandem superelectrophilic hydroarylation of CC bond and carbonyl reduction in cinnamides: Synthetic rout to 3,3-diarylpropylamines, valuable pharmaceuticals". . p. 102 - 108. Retrieved 2015/02/02.
• 2、 Klumpp,Aguirre,Sanchez Jr.,de Leon. "Reactions of amino alcohols in superacid: the direct observation of dicationic intermediates and their application in synthesis.". . p. 2781 - 2784. Retrieved 2007/10/03.