1-Tert-butyl-4-chloropiperidine

Base Information

• Chemical Name: 1-Tert-butyl-4-chloropiperidine
• CAS No.: 5570-81-0
• Molecular Formula: C9H18ClN
• Molecular Weight: 175.69892
• DSSTox Substance ID: DTXSID20465374
• Nikkaji Number: J2.163.818H
• Wikidata: Q82291251
• Mol file: 5570-81-0.mol

Synonyms:1-tert-butyl-4-chloropiperidine

Chemical Property of 1-Tert-butyl-4-chloropiperidine

Chemical Property:

• PSA: 3.24000
• LogP: 2.42600
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 175.1127773
• Heavy Atom Count: 11
• Complexity: 120

Purity/Quality:

98%min ^*data from raw suppliers

1-TERT-BUTYL-4-CHLORO-PIPERIDINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)N1CCC(CC1)Cl

Technology Process of 1-Tert-butyl-4-chloropiperidine

There total 11 articles about 1-Tert-butyl-4-chloropiperidine 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: 85.0%

1-tert-butyl-piperidin-4-ol; hydrochloride → 1-tert-butyl-4-chloropiperidine (5570-81-0) + N-tert-butyl-1,2,3,6-tetrahydropyridine

Guidance literature:

With thionyl chloride; tetrabutyl-ammonium chloride; In toluene;

DOI:10.1021/jo061618f

Reference yield:

4-chloro-1-isopropylidene-piperidinium; bromide + methylmagnesium chloride (676-58-4) → 4-chloro piperidine (5382-18-3) + 1-tert-butyl-4-chloropiperidine (5570-81-0)

Guidance literature:

In tetrahydrofuran; at -15 - 20 ℃; for 8h;

DOI:10.1021/jo048047g

Reference yield:

1-Methyl-4-piperidone (1445-73-4) → 1-tert-butyl-4-chloropiperidine (5570-81-0)

Guidance literature:

Multi-step reaction with 4 steps

1: 99 percent / acetone

2: 87 percent / sodium acrylate / H₂O

3: 99 percent / Raney Ni; HCl / ethanol; propan-2-ol

4: thionyl chloride

With hydrogenchloride; thionyl chloride; sodium 2-propenoate; nickel; In ethanol; water; isopropyl alcohol; acetone;

DOI:10.1021/jo061618f

upstream raw materials:

1-(1,1-dimethylethyl)-4-piperidinol

methylmagnesium chloride

1-Methyl-4-piperidone

N,N-dimethyl-4-oxopiperidinium iodide

Downstream raw materials:

N-tert-butylpiperidine

4-chloro-3-iodopyridine