1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-5-phenylmethoxypentan-1-one

Base Information

Chemical Name:1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-5-phenylmethoxypentan-1-one
CAS No.:129539-96-4
Molecular Formula:C₁₈H₂₇NO₂
Molecular Weight:289.418
Hs Code.:
DSSTox Substance ID:DTXSID601146518
Nikkaji Number:J340.824H

Synonyms:DTXSID601146518;129539-96-4;Pyrrolidine, 2,5-dimethyl-1-[1-oxo-5-(phenylmethoxy)pentyl]-, (2S-trans)-

Suppliers and Price of 1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-5-phenylmethoxypentan-1-one

Supply Marketing:

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

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Chemical Property of 1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-5-phenylmethoxypentan-1-one

Chemical Property:

XLogP3:3.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:289.204179104
Heavy Atom Count:21
Complexity:302

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1CCC(N1C(=O)CCCCOCC2=CC=CC=C2)C
Isomeric SMILES:C[C@H]1CC[C@@H](N1C(=O)CCCCOCC2=CC=CC=C2)C

Technology Process of 1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-5-phenylmethoxypentan-1-one

There total 2 articles about 1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-5-phenylmethoxypentan-1-one 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:

: 128329-72-6
5-(phenylmethoxy)pentanoic acid chloride

: 138133-34-3
trans-(2S,5S)-2,5-dimethylpyrrolidine hydrochloride

: 129539-96-4
(2S-trans)-2,5-Dimethyl-1-<1-oxo-5-(phenylmethoxy)-pentyl>pyrrolidine

Guidance literature:: With sodium hydroxide; In diethyl ether; for 1h; Yield given; Ambient temperature;
DOI:10.1021/jo00035a010

Reference yield:

: 117968-50-0
(2S,5S)-2,5-dimethylpyrrolidine

: 128329-72-6
5-(phenylmethoxy)pentanoic acid chloride

: 129539-96-4
(2S-trans)-2,5-Dimethyl-1-<1-oxo-5-(phenylmethoxy)-pentyl>pyrrolidine

Guidance literature:: Schotten-Baumann conditions;
DOI:10.1021/jo00307a006

Reference yield:

: 129539-96-4
(2S-trans)-2,5-Dimethyl-1-<1-oxo-5-(phenylmethoxy)-pentyl>pyrrolidine

: 117959-73-6,118015-93-3,129645-65-4,138383-35-4,138604-13-4,138604-14-5
7a-(4,8-Dimethyl-3,7-nonadienyl)hexahydro-4-<3-(phenylmethoxy)propyl>cyclopentapyran-3(1H)-one

Guidance literature:: Multi-step reaction with 3 steps

2: 73 percent / DIBAL / toluene / 2 h / -78 °C

3: 92 percent / 5N KOH, ethylene glycol / 50 h / 167 °C

With potassium hydroxide; diisobutylaluminium hydride; ethylene glycol; In toluene;
DOI:10.1021/jo00035a010