2-(3,4-dichlorophenyl)-1-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone

Base Information

Chemical Name:2-(3,4-dichlorophenyl)-1-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone
CAS No.:130497-34-6
Molecular Formula:C18H24Cl2N2O
Molecular Weight:355.307
Hs Code.:
DSSTox Substance ID:DTXSID501137900
Nikkaji Number:J363.504J
Wikipedia:BRL-52537
Wikidata:Q4836378
ChEMBL ID:CHEMBL71294

Synonyms:1-(3,4-dichlorophenyl)acetyl-2-(1-pyrrolidinyl)methylpiperidine;BRL 52537;BRL-52537;BRL52537

Suppliers and Price of 2-(3,4-dichlorophenyl)-1-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone

Supply Marketing:

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

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Chemical Property of 2-(3,4-dichlorophenyl)-1-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone

Chemical Property:

XLogP3:4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:354.1265688
Heavy Atom Count:23
Complexity:401

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CCN(C(C1)CN2CCCC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl
Isomeric SMILES:C1CCN([C@@H](C1)CN2CCCC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl

Technology Process of 2-(3,4-dichlorophenyl)-1-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone

There total 16 articles about 2-(3,4-dichlorophenyl)-1-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone 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: 76.0%

: 123-75-1
pyrrolidine

: 125348-92-7
1-<(3,4-dichlorophenyl)acetyl>-2-piperidinecarboxaldehyde

: 128103-41-3,130497-33-5,130497-34-6,130497-35-7
[3H]-BRL 52537

Guidance literature:: With hydrogenchloride; 3 A molecular sieve; sodium cyanoborohydride; In methanol; for 72h; Ambient temperature;
DOI:10.1021/jm00081a009

Reference yield:

: 100158-63-2
2-[(1-Pyrrolidinyl)methyl]piperidine

: 6831-55-6
2-(3,4-dichlorophenyl)acetyl chloride

: 128103-41-3,130497-33-5,130497-34-6,130497-35-7
[3H]-BRL 52537

Guidance literature:: With potassium carbonate; In dichloromethane; at 0 ℃; for 3h;
DOI:10.1021/jm00105a061

Reference yield:

: 5807-30-7
3,4-dichlorophenyl acetic acid

: 128103-41-3,130497-33-5,130497-34-6,130497-35-7
[3H]-BRL 52537

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) 1,1'-carbonyldiimidazole / 1.) acetonitrile, RT, 20 min, 2.) acetonitrile, RT, 6 h

2: 69 percent / CrO₃, pyridine / CH₂Cl₂ / 1 h / Ambient temperature

3: 76 percent / 5N HCl, 3-Angstroem molecular sieves, NaBH₃CN / methanol / 72 h / Ambient temperature

With pyridine; chromium(VI) oxide; hydrogenchloride; 3 A molecular sieve; sodium cyanoborohydride; 1,1'-carbonyldiimidazole; In methanol; dichloromethane;
DOI:10.1021/jm00081a009