2-Piperidinecarbonylchloride

Base Information

• Chemical Name: 2-Piperidinecarbonylchloride
• CAS No.: 130606-00-7
• Molecular Formula: C6H10 Cl N O
• Molecular Weight: 147.605
• NSC Number: 133396
• DSSTox Substance ID: DTXSID80299874
• Mol file: 130606-00-7.mol

Synonyms:130606-00-7;2-Piperidinecarbonylchloride;Pipecoloyl chloride;2-PIPERIDINECARBONYL CHLORIDE;SCHEMBL3059212;DTXSID80299874;NSC133396;AKOS006359477;NSC-133396

Chemical Property of 2-Piperidinecarbonylchloride

Chemical Property:

• Melting Point: 265-266 °C
• Boiling Point: 199.8±33.0 °C(Predicted)
• PKA: 7.83±0.10(Predicted)
• PSA: 29.10000
• Density: 1.147±0.06 g/cm3(Predicted)
• LogP: 1.22270
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 147.0450916
• Heavy Atom Count: 9
• Complexity: 116

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCNC(C1)C(=O)Cl

Technology Process of 2-Piperidinecarbonylchloride

There total 3 articles about 2-Piperidinecarbonylchloride 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:

pipecolic Acid (4043-87-2,83680-83-5) → piperidine-2-carbonyl chloride (130606-00-7)

Guidance literature:

Multi-step reaction with 2 steps

1: NaOH / H₂O / 0 °C

2: SOCl₂ / CH₂Cl₂ / 24 h / Ambient temperature

With sodium hydroxide; thionyl chloride; In dichloromethane; water;

DOI:10.1021/jm00105a061

Reference yield:

(+/-)-[(N-ethoxycarbonyl)piperidine]-2-carboxylic acid (130497-14-2) → piperidine-2-carbonyl chloride (130606-00-7)

Guidance literature:

With thionyl chloride; In dichloromethane; for 24h; Ambient temperature;

DOI:10.1021/jm00105a061

Reference yield:

piperidine-2-carboxylic acid hydrochloride (15862-86-9,5107-10-8) → piperidine-2-carbonyl chloride (130606-00-7)

Guidance literature:

With phosphorus pentachloride; acetyl chloride; at 35 ℃; for 7h;

DOI:10.1016/S0223-5234(99)80072-5

upstream raw materials:

(+/-)-[(N-ethoxycarbonyl)piperidine]-2-carboxylic acid

piperidine-2-carboxylic acid hydrochloride

pipecolic Acid

Downstream raw materials:

Piperidine-2-carboxylic acid dimethylamide

pipecolic acid-2,4-xylidide

1-(2-piperidinylcarbonyl)pyrrolidine

1-(2-Pyrrolidin-1-ylmethyl-piperidin-1-yl)-2-(3-trifluoromethyl-phenyl)-ethanone

Refernces

• 1、 Ho, Bin,Venkatarangan, Prabha M.,Cruse, Sharon F.,Hinko, Christine N.,Andersen, Peter H.,Crider, Albert M.,Adloo, Ahmad A.,Roane, David S.,Stables, James P.. "Synthesis of 2-piperidinecarboxylic acid derivatives as potential anticonvulsants". . p. 23 - 31. Retrieved 2007/10/03.