1-Piperidinecarbonyl chloride

Base Information

• Chemical Name: 1-Piperidinecarbonyl chloride
• CAS No.: 13939-69-0
• Molecular Formula: C6H10 Cl N O
• Molecular Weight: 147.605
• Hs Code.: 2933399090
• European Community (EC) Number: 604-129-9
• NSC Number: 50227
• UNII: QLE3AUF3ZD
• DSSTox Substance ID: DTXSID30287307
• Nikkaji Number: J807.897A
• Wikidata: Q82023304
• Mol file: 13939-69-0.mol

Synonyms:1-Piperidinecarbonyl chloride;13939-69-0;piperidine-1-carbonyl chloride;1-Piperidinecarbonylchloride;N-Chloroformylpiperidine;1-(chlorocarbonyl)piperidine;QLE3AUF3ZD;piperidinocarbonyl chloride;NSC 50227;MFCD00973554;NSC-50227;piperidine-d10-carbonyl chloride;UNII-QLE3AUF3ZD;piperidylcarbonyl chloride;piperidinecarbonyl chloride;N-chlorocarbonyl-piperidine;1-(Chloroformyl)piperidine;piperidine carbonyl chloride;1-piperidylcarbonyl chloride;piperidinyl carbonyl chloride;n-piperidinylcarbonyl chloride;piperidine-N-carbonyl chloride;SCHEMBL138252;1-Piperidine carbonyl chloride;piperidine-1-ylcarbonyl chloride;DTXSID30287307;1-piperidinecarboxylic acid chloride;CS-D0584;NSC50227;1-Piperidinecarbonyl chloride, 97%;AKOS022463793;GS-5964;SY046056;FT-0636981;EN300-345854;F14628;A922271;J-007273

Chemical Property of 1-Piperidinecarbonyl chloride

Chemical Property:

• Vapor Pressure: 0.0421mmHg at 25°C
• Refractive Index: n20/D 1.459(lit.)
• Boiling Point: 238.6°Cat760mmHg
• PKA: -1.85±0.20(Predicted)
• Flash Point: 98.1°C
• PSA: 20.31000
• Density: 1.193g/cm³
• LogP: 1.76900
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 147.0450916
• Heavy Atom Count: 9
• Complexity: 110

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Piperidinecarbonyl chloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CCN(CC1)C(=O)Cl
• Uses: Reactant for synthesis of: A coumarin-based HIV-1 Vpr inhibitor1 Antitumor agents as potent chemosensitizers2 Oxime carbamates as reversible inhibitors of fatty acid amide hydrolase3 Dipeptidyl peptidase 4 inhibitors for the treatment of type 2 diabetes4 Bisarylmaleimide glycogen synthase kinase-3 inhibitors5 Lysosomal acid lipase inhibitors and potential Niemann-Pick type C disease therapeutics6 Reactant for synthesis of: A coumarin-based HIV-1 Vpr inhibitor Antitumor agents as potent chemosensitizers Oxime carbamates as reversible inhibitors of fatty acid amide hydrolase Dipeptidyl peptidase 4 inhibitors for the treatment of type 2 diabetes Bisarylmaleimide glycogen synthase kinase-3 inhibitors Lysosomal acid lipase inhibitors and potential Niemann-Pick type C disease therapeutics

Technology Process of 1-Piperidinecarbonyl chloride

There total 26 articles about 1-Piperidinecarbonyl chloride 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: 97.0%

piperidine (110-89-4) + bis(trichloromethyl) carbonate (32315-10-9) → piperidine carbamoyl chloride (13939-69-0)

Guidance literature:

With triethylamine; In dichloromethane; at -10 - 0 ℃; for 4h;

Reference yield: 85.6%

bis(piperidinothiocarbonyl)disulfide (94-37-1) → piperidine carbamoyl chloride (13939-69-0)

Guidance literature:

bis(piperidinothiocarbonyl)disulfide; With chlorine; In dichloromethane; at 24 - 26 ℃; for 7.83333h; Cooling with ice;

With water; sodium hydrogencarbonate; In dichloromethane; Cooling with ice;

DOI:10.1080/00397910903537331

Reference yield: 85.6%

piperidine (110-89-4) + chloro(chlorosulfanyl)methanone (2757-23-5) → piperidine carbamoyl chloride (13939-69-0)

Guidance literature:

piperidine; chloro(chlorosulfanyl)methanone; In dichloromethane; at 40 ℃; Inert atmosphere;

With chlorine; In dichloromethane; at 20 ℃;

DOI:10.1139/V10-138

upstream raw materials:

piperidine

phosgene

2-oxo-2-(piperidin-1-yl)acetic acid

carbon dioxide

Downstream raw materials:

Piperidine-1-carboxylic acid N'-(3,5-bis-trifluoromethyl-phenyl)-hydrazide

(-)-3-<3-<(piperidylcarbonyl)oxy>phenyl>-N-propylpiperidine

2-hydroxy-2-phenyl-1-(piperidin-1-yl)ethan-1-one

Phenyl(piperidinocarbonyl)-thiocarbamidsaeure-O-methylester

Refernces

• 1、 Bansal, Yogita,Kaur, Sukhvir. "Dual inhibitors of Interleukin-6 and acetylcholinesterase for treatment of Alzheimer's disease: Design, docking, synthesis and biological evaluation". . . Retrieved 2021/11/13.
• 2、 Hu, Xiao-Long,He, Qi-Wei,Long, Huan,Zhang, Li-Xin,Wang, Rong,Wang, Bao-Lin,Feng, Jia-Hao,Wang, Quan,Hou, Ji-Qin,Zhang, Xiao-Qi,Ye, Wen-Cai,Wang, Hao. "Synthesis and Biological Evaluation of Celastrol Derivatives with Improved Cytotoxic Selectivity and Antitumor Activities". . p. 1954 - 1966. Retrieved 2021/07/20.