4-(4-Chlorobenzoyl)Piperidine

Base Information

• Chemical Name: 4-(4-Chlorobenzoyl)Piperidine
• CAS No.: 53220-41-0
• Molecular Formula: C12H14ClNO
• Molecular Weight: 223.702
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID00380379
• Wikidata: Q72517365
• Mol file: 53220-41-0.mol

Synonyms:4-(4-Chlorobenzoyl)Piperidine;53220-41-0;(4-Chlorophenyl)(piperidin-4-yl)methanone;(4-chlorophenyl)-piperidin-4-ylmethanone;4-(4-Chlorobenzoyl)-piperidine;(4-chlorophenyl)-(4-piperidinyl)methanone;(4-chlorophenyl)-piperidin-4-yl-methanone;Maybridge1_003174;(4-Chlorophenyl)(4-piperidinyl)methanonehydrochloride;Oprea1_538079;SCHEMBL654532;DTXSID00380379;IYGWDOXHCPQXKN-UHFFFAOYSA-N;MFCD04113538;AKOS000169237;GS-3557;SB37536;(4-Chlorophenyl)-4-piperidinylmethanone;(4-chlorophenyl)piperidin-4-ylmethanone;AC-25673;AS-10987;4-(4-chlorobenzoyl)piperidine, AldrichCPR;(4-chloro-phenyl)-piperidin-4-yl-methanone;AM20040644;CS-0453322;FT-0652495;EN300-52074;A829455;A829456

Chemical Property of 4-(4-Chlorobenzoyl)Piperidine

Chemical Property:

• Vapor Pressure: 2.96E-05mmHg at 25°C
• Melting Point: 60-63℃
• Refractive Index: 1.549
• Boiling Point: 356.2 °C at 760 mmHg
• Flash Point: 169.2 °C
• PSA: 29.10000
• Density: 1.168 g/cm³
• LogP: 2.85110
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Water Solubility.: Slightly soluble in water.
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 223.0763918
• Heavy Atom Count: 15
• Complexity: 218

Purity/Quality:

99% ^*data from raw suppliers

4-(4-Chlorobenzoyl)piperidine ^*data from reagent suppliers

Safty Information:

• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCCC1C(=O)C2=CC=C(C=C2)Cl
• Uses: It is used as pharmaceutical intermediate. The derivative of this compound, 2-amino-3-(4-chlorobenzoyl)-4-[4-(alkyl/aryl)piperazin-yl]thiophene are used as allosteric enhancers of the A1-adenosine receptor.

Technology Process of 4-(4-Chlorobenzoyl)Piperidine

There total 6 articles about 4-(4-Chlorobenzoyl)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:

N-acetyl-4-(p-chlorobenzoyl)piperidine (59084-15-0) → 4-(4-chlorobenzoyl)piperidine (53220-41-0)

Guidance literature:

With hydrogenchloride; Heating;

DOI:10.1021/jm0309349

Reference yield:

1-acetylpiperidine-4-carbonyl chloride (59084-16-1) → 4-(4-chlorobenzoyl)piperidine (53220-41-0)

Guidance literature:

Multi-step reaction with 2 steps

1: AlCl₃ / 1,2-dichloro-ethane / Heating

2: aq. HCl / Heating

With hydrogenchloride; aluminium trichloride; In 1,2-dichloro-ethane; 1: Friedel-Crafts reaction;

DOI:10.1021/jm0309349

Reference yield:

1-acetyl-piperidine-4-carboxylic acid (25503-90-6) → 4-(4-chlorobenzoyl)piperidine (53220-41-0)

Guidance literature:

Multi-step reaction with 3 steps

1: SOCl₂ / 1 h / 20 °C

2: AlCl₃ / 1,2-dichloro-ethane / Heating

3: aq. HCl / Heating

With hydrogenchloride; aluminium trichloride; thionyl chloride; In 1,2-dichloro-ethane; 2: Friedel-Crafts reaction;

DOI:10.1021/jm0309349

upstream raw materials:

N-acetyl-4-(p-chlorobenzoyl)piperidine

1-acetylpiperidine-4-carbonyl chloride

1-acetyl-piperidine-4-carboxylic acid

isonipecotic acid

Downstream raw materials:

3-Acetyl-2-[2-[4-[4-(4-chlorobenzoyl)-1-piperidyl]butoxy]-5-methoxyphenyl]benzothiazoline

[4-(4-chloro-benzoyl)-piperidin-1-yl]-acetic acid

C₂₂H₂₅ClN₄O₄

(4-chlorophenyl)(piperidin-4-yl)methanol

Refernces

• 1、 -. "1-aryloxy ethyl piperidine-4-yl benzophenone derivative as well as preparation method and application thereof". Paragraph 0070-0072. . Retrieved 2019/11/20.
• 2、 -. "Pharmaceutically-active phthalazine compounds". . . Retrieved 2008/06/13.