1-(4-Chlorobenzyl)piperidin-4-one

Base Information

• Chemical Name: 1-(4-Chlorobenzyl)piperidin-4-one
• CAS No.: 21937-61-1
• Molecular Formula: C12H14ClNO
• Molecular Weight: 223.702
• Hs Code.: 2933399090
• European Community (EC) Number: 837-746-9
• DSSTox Substance ID: DTXSID10441763
• Wikidata: Q82258689
• Mol file: 21937-61-1.mol

Synonyms:1-(4-chlorobenzyl)piperidin-4-one;21937-61-1;1-[(4-chlorophenyl)methyl]piperidin-4-one;1-(4-chlorobenzyl)-4-piperidone;1-(4-Chlorobenzyl)-4-piperidinone;4-Piperidone, 1-(p-chlorobenzyl)- (8CI);1-(4-Chlorobenzyl)-4-piperidone;1-(p-Chlorobenzyl)-4-piperidinone;1-(p-Chlorobenzyl)-4-piperidone;N-(4-CHLOROBENZYL)-4-PIPERIDONE;(p-Chlorobenzyl)piperidone;SCHEMBL941871;1-(4-Chlorobenzyl)4-piperidone;DTXSID10441763;ZCTWGHYTGOWQSN-UHFFFAOYSA-N;WAA93761;4-chlorobenzylpiperidone, AldrichCPR;MFCD03411616;AKOS000184436;AS-54720;1-[(4-Chlorophenyl)methyl]piperidine-4-one;CS-0010870;EN300-40232;V10022;Z54749060

Chemical Property of 1-(4-Chlorobenzyl)piperidin-4-one

Chemical Property:

• PSA: 20.31000
• LogP: 2.44280
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 223.0763918
• Heavy Atom Count: 15
• Complexity: 214

Purity/Quality:

NLT 98% ^*data from raw suppliers

1-[(4-chlorophenyl)methyl]piperidin-4-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCC1=O)CC2=CC=C(C=C2)Cl

Technology Process of 1-(4-Chlorobenzyl)piperidin-4-one

There total 6 articles about 1-(4-Chlorobenzyl)piperidin-4-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: 80.0%

4-piperidone hydrochloride (41979-39-9) + 1-Chloro-4-(chloromethyl)benzene (104-83-6) → 1-(4-chlorobenzyl)-4-piperidone (21937-61-1)

Guidance literature:

With triethylamine; In dichloromethane; for 16h; Heating;

DOI:10.1021/jm991051d

Reference yield:

piperidin-4-one (41661-47-6) + 1-Chloro-4-(chloromethyl)benzene (104-83-6) → 1-(4-chlorobenzyl)-4-piperidone (21937-61-1)

Guidance literature:

With caesium carbonate; potassium iodide; In pentan-3-one; for 4h; Heating / reflux;

Reference yield:

1-Chloro-4-(chloromethyl)benzene (104-83-6) → 1-(4-chlorobenzyl)-4-piperidone (21937-61-1)

Guidance literature:

Multi-step reaction with 2 steps

1: toluene / 8 h / Heating

2: aq. HBr / Heating

With hydrogen bromide; In toluene;

DOI:10.1016/S0014-827X(02)01293-4

upstream raw materials:

4-piperidone hydrochloride

1-Chloro-4-(chloromethyl)benzene

8-(4-chloro-benzyl)-1,4-dioxa-8-aza-spiro[4.5]decane

4,4-ethylenedioxy-piperidine

Downstream raw materials:

C₂₃H₂₄ClN₃

N-[1-(4-chloro-benzyl)-piperidin-4-ylidene]-N'-(2-nitro-phenyl)-hydrazine

C₁₅H₂₃ClN₂

1-(p-chlorobenzyl)-4-piperidone oxime