3-Pentanone, 2-[bis(phenylmethyl)amino]-, (2S)-

Base Information

Chemical Name:3-Pentanone, 2-[bis(phenylmethyl)amino]-, (2S)-
CAS No.:159418-52-7
Molecular Formula:C19H23NO
Molecular Weight:281.398
Hs Code.:
DSSTox Substance ID:DTXSID90454412
Nikkaji Number:J1.649.957I
Wikidata:Q82275926
Mol file:159418-52-7.mol

Synonyms:3-Pentanone, 2-[bis(phenylmethyl)amino]-, (2S)-;159418-52-7;DTXSID90454412;(S)-2-(Dibenzylamino)-3-pentanone

Suppliers and Price of 3-Pentanone, 2-[bis(phenylmethyl)amino]-, (2S)-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 3-Pentanone, 2-[bis(phenylmethyl)amino]-, (2S)-

Chemical Property:

XLogP3:3.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:281.177964357
Heavy Atom Count:21
Complexity:283

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCC(=O)C(C)N(CC1=CC=CC=C1)CC2=CC=CC=C2
Isomeric SMILES:CCC(=O)[C@H](C)N(CC1=CC=CC=C1)CC2=CC=CC=C2

Technology Process of 3-Pentanone, 2-[bis(phenylmethyl)amino]-, (2S)-

There total 2 articles about 3-Pentanone, 2-[bis(phenylmethyl)amino]-, (2S)- 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:

: 2386-64-3
ethylmagnesium chloride

: 87281-16-1
2-dibenzylamino-propionic acid methyl ester

: 159418-52-7
(S)-2-Dibenzylamino-pentan-3-one

Guidance literature:: 2-dibenzylamino-propionic acid methyl ester; With isopropylmagnesium chloride; N,O-dimethylhydroxylamine*hydrochloride; In tetrahydrofuran; -5 deg C, 1 h, 20 deg C, 2h;

ethylmagnesium chloride; In tetrahydrofuran; at 0 - 20 ℃; for 3h;
DOI:10.1016/S0040-4039(01)01982-7

Reference yield:

: 100-39-0
benzyl bromide

: 159418-52-7
(S)-2-Dibenzylamino-pentan-3-one

Guidance literature:: Multi-step reaction with 2 steps

1.1: NaHCO₃ / tetrahydrofuran; dimethylsulfoxide / 16 h / 85 °C

2.1: HNMe(OMe)*HCl; iPrMgCl / tetrahydrofuran / -5 deg C, 1 h, 20 deg C, 2h

2.2: tetrahydrofuran / 3 h / 0 - 20 °C

With isopropylmagnesium chloride; N,O-dimethylhydroxylamine*hydrochloride; sodium hydrogencarbonate; In tetrahydrofuran; dimethyl sulfoxide;
DOI:10.1016/S0040-4039(01)01982-7

Reference yield: 57.0%

: 97826-89-6
(2R)-3-(tert-butyldimethylsilyloxy)-2-methylpropanal

: 159418-52-7
(S)-2-Dibenzylamino-pentan-3-one

: (2S,4S,5S,6R)-7-(tert-Butyl-dimethyl-silanyloxy)-2-dibenzylamino-5-hydroxy-4,6-dimethyl-heptan-3-one

Guidance literature:: (S)-2-Dibenzylamino-pentan-3-one; With N,N-dimethyl-ethanamine; dicyclohexylboron chloride; In diethyl ether; at 0 ℃; for 2h;

(2R)-3-(tert-butyldimethylsilyloxy)-2-methylpropanal; In diethyl ether; -78 deg C, 3 h, -26 deg C, 14 h;
DOI:10.1016/S0040-4039(01)01982-7