(3R,4S)-4-(4-Chloro-phenyl)-1-methyl-3-propyl-piperidine

Base Information

Chemical Name:(3R,4S)-4-(4-Chloro-phenyl)-1-methyl-3-propyl-piperidine
CAS No.:263769-26-2
Molecular Formula:C₁₅H₂₂ClN
Molecular Weight:251.799
Hs Code.:
UNII:TL9AK56W6U
Nikkaji Number:J964.721J
ChEMBL ID:CHEMBL103829

Synonyms:CHEMBL103829;TL9AK56W6U;SCHEMBL3827721;BDBM50147851;1-Methyl-3alpha-propyl-4beta-(4-chlorophenyl)piperidine;(3R,4S)-4-(4-Chlorophenyl)-1-methyl-3-propylpiperidine;(3R,4S)-4-(4-Chloro-phenyl)-1-methyl-3-propyl-piperidine;4-(4-Chlorophenyl)-1-methyl-3-propylpiperidine, (3R,4S)-;Piperidine, 4-(4-chlorophenyl)-1-methyl-3-propyl-, (3R,4S)-;263769-26-2

Suppliers and Price of (3R,4S)-4-(4-Chloro-phenyl)-1-methyl-3-propyl-piperidine

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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Total 0 raw suppliers

Chemical Property of (3R,4S)-4-(4-Chloro-phenyl)-1-methyl-3-propyl-piperidine

Chemical Property:

XLogP3:4.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:251.1440774
Heavy Atom Count:17
Complexity:223

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCCC1CN(CCC1C2=CC=C(C=C2)Cl)C
Isomeric SMILES:CCC[C@H]1CN(CC[C@@H]1C2=CC=C(C=C2)Cl)C

Technology Process of (3R,4S)-4-(4-Chloro-phenyl)-1-methyl-3-propyl-piperidine

There total 10 articles about (3R,4S)-4-(4-Chloro-phenyl)-1-methyl-3-propyl-piperidine 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:

: 214335-16-7,205805-13-6
(-)-Methyl 4β-(4-chlorophenyl)-1-methylpiperidine-3β-carboxylate

: 263769-26-2
4β-(4-chlorophenyl)-1-methyl-3α-n-propylpiperidine

Guidance literature:: Multi-step reaction with 5 steps

1: 86 percent / NaOMe / methanol / 24 h / Heating

2: 84 percent / LiAlH₄ / tetrahydrofuran / 1 h / Ambient temperature

3: 1.) (COCl)2, DMSO, 2.) Et₃N / 1.) CH₂Cl₂, -78 deg C, 30 min, 2.) CH₂Cl₂, from -78 deg C to RT

4: 1.) n-BuLi / 1.) hexane, THF, 0 deg C, 30 min, 2.) hexane, THF, RT, 15 h

5: H₂ / 5percent Pt/C / cyclohexane / 0.5 h / 760 Torr / Ambient temperature

With lithium aluminium tetrahydride; n-butyllithium; oxalyl dichloride; hydrogen; sodium methylate; dimethyl sulfoxide; triethylamine; platinum on activated charcoal; In tetrahydrofuran; methanol; cyclohexane;
DOI:10.1021/jm980028+

Reference yield:

: 263770-46-3
(3R,4S)-4-(4-Chloro-phenyl)-1-methyl-3-((E)-propenyl)-piperidine

: 263769-26-2
4β-(4-chlorophenyl)-1-methyl-3α-n-propylpiperidine

Guidance literature:: With hydrogen; platinum on activated charcoal; In cyclohexane; for 0.5h; under 760 Torr; Yield given; Ambient temperature;
DOI:10.1021/jm980028+

Reference yield:

: 263769-24-0
(+)-4β-(4-Chlorophenyl)-3α-(hydroxymethyl)-1-methylpiperidine

: 263769-26-2
4β-(4-chlorophenyl)-1-methyl-3α-n-propylpiperidine

Guidance literature:: Multi-step reaction with 3 steps

1: oxalyl chloride; DMSO; Et₃N / CH₂Cl₂ / -78 - 20 °C

2: tetrahydrofuran

3: H₂ / Pt/C

With oxalyl dichloride; hydrogen; dimethyl sulfoxide; triethylamine; platinum on activated charcoal; In tetrahydrofuran; dichloromethane; 1: Swern oxidation / 2: Wittig olefination;
DOI:10.1021/jm0303296