cis-1-(3-Chloropropyl)-2,6-dimethylpiperidine hydrochloride

Base Information

• Chemical Name: cis-1-(3-Chloropropyl)-2,6-dimethylpiperidine hydrochloride
• CAS No.: 63645-17-0
• Molecular Formula: C10H21Cl2N
• Molecular Weight: 0
• European Community (EC) Number: 417-430-3,638-821-7
• DSSTox Substance ID: DTXSID101335162
• Mol file: 63645-17-0.mol

Synonyms:SCHEMBL11613952;cis-1-(3-Chloropropyl)-2,6-dimethylpiperidine hydrochloride;DTXSID101335162;63645-17-0

Chemical Property of cis-1-(3-Chloropropyl)-2,6-dimethylpiperidine hydrochloride

Chemical Property:

• Melting Point: 173-174 °C(Solv: isopropyl ether (108-20-3))
• PSA: 3.24000
• LogP: 3.61810
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 225.1051051
• Heavy Atom Count: 13
• Complexity: 117

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Hazard Codes: T,N
• Statements: 25-43-48/22-51/53
• Safety Statements: 22-36/37-45-61

MSDS Files:

Useful:

• Canonical SMILES: CC1CCCC(N1CCCCl)C.Cl
• Isomeric SMILES: C[C@@H]1CCC[C@@H](N1CCCCl)C.Cl

Technology Process of cis-1-(3-Chloropropyl)-2,6-dimethylpiperidine hydrochloride

There total 2 articles about cis-1-(3-Chloropropyl)-2,6-dimethylpiperidine hydrochloride 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:

cis-2,6-dimethyl-1-piperidinepropanol (63645-16-9) → cis-1-(3-chloropropyl)-2,6-dimethylpiperidine monohydrochloride (63645-17-0,83556-85-8)

Guidance literature:

With thionyl chloride; In benzene; for 2h; Heating;

DOI:10.1021/jm00105a003

Reference yield:

(2R,6S)-2,6-dimethylpiperidine (766-17-6,1218906-26-3) → cis-1-(3-chloropropyl)-2,6-dimethylpiperidine monohydrochloride (63645-17-0,83556-85-8)

Guidance literature:

Multi-step reaction with 2 steps

1: xylene / 1.) reflux, 2 h, 2.) 16 h

2: thionyl chloride / benzene / 2 h / Heating

With thionyl chloride; In xylene; benzene;

DOI:10.1021/jm00105a003

Reference yield: 67.0%

phenyl-pyridin-2-yl-acetonitrile (5005-36-7) + cis-1-(3-chloropropyl)-2,6-dimethylpiperidine monohydrochloride (63645-17-0,83556-85-8) → α-<3-(2,6-dimethyl-1-piperidinyl)propyl>-α-phenyl-2-pyridineacetonitrile (130275-51-3)

Guidance literature:

With potassium hydroxide; In butanone; for 24h; Heating;

DOI:10.1021/jm00105a003

upstream raw materials:

cis-2,6-dimethyl-1-piperidinepropanol

(2R,6S)-2,6-dimethylpiperidine

Downstream raw materials:

cis-2-<4-(2,6-dimethyl-1-piperidinyl)-1-phenylbutyl>pyridine

α-<3-(2,6-dimethyl-1-piperidinyl)propyl>-α-phenyl-2-pyridineacetonitrile

cis-2,6-dimethyl-α,α-diphenyl-1-piperidinepentanenitrile

5-((2S,6R)-2,6-Dimethyl-piperidin-1-yl)-2-phenyl-2-pyridin-2-yl-pentanoic acid amide