Benzyl 3-(chlorocarbonyl)piperidine-1-carboxylate

Base Information

• Chemical Name: Benzyl 3-(chlorocarbonyl)piperidine-1-carboxylate
• CAS No.: 216502-94-2
• Molecular Formula: C14H16ClNO3
• Molecular Weight: 281.739
• Hs Code.: 2933399090
• European Community (EC) Number: 801-810-4
• DSSTox Substance ID: DTXSID60380198
• Mol file: 216502-94-2.mol

Synonyms:216502-94-2;BENZYL 3-(CHLOROCARBONYL)PIPERIDINE-1-CARBOXYLATE;1-Benzyloxycarbonylpiperidine-3-carbonyl chloride;BENZYL 3-(CHLOROCARBONYL)TETRAHYDRO-1(2H)-PYRIDINECARBOXYLATE;benzyl 3-carbonochloridoylpiperidine-1-carboxylate;1-CBZ-PIPERIDINE-3-CARBONYL CHLORIDE;SCHEMBL204953;DTXSID60380198;WVIBCUKTQAQPKH-UHFFFAOYSA-N;MFCD03407318;AKOS015848521;FS-6245;FT-0600998;A925126;benzyl-3-(chlorocarbonyl)piperidine-1-carboxylate;W-206663;(+/-)-Benzyl-3-(chlorocarbonyl)piperidine-1-carboxylate;BENZYL3-(CHLOROCARBONYL)PIPERIDINE-1-CARBOXYLATE;3-chlorocarbonyl-piperidine-1-carboxylic acid benzyl ester

Chemical Property of Benzyl 3-(chlorocarbonyl)piperidine-1-carboxylate

Chemical Property:

• Boiling Point: 396.571 °C at 760 mmHg
• Flash Point: 193.64 °C
• PSA: 46.61000
• Density: 1.269 g/cm³
• LogP: 2.73850
• Storage Temp.: 2-8°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 281.0818711
• Heavy Atom Count: 19
• Complexity: 329

Purity/Quality:

97% ^*data from raw suppliers

Benzyl3-(chlorocarbonyl)piperidine-1-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: R34:Causes burns.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39:Wear suitabl

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(CN(C1)C(=O)OCC2=CC=CC=C2)C(=O)Cl

Technology Process of Benzyl 3-(chlorocarbonyl)piperidine-1-carboxylate

There total 3 articles about Benzyl 3-(chlorocarbonyl)piperidine-1-carboxylate 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: 95.0%

1-benzyloxycarbonylpiperidine-3-carboxylic acid (78190-11-1) → 1-[(benzyloxy)carbonyl]piperidine-3-carbonyl chloride (216502-94-2)

Guidance literature:

With thionyl chloride; In dichloromethane; for 1.5h; Heating;

DOI:10.1016/S0968-0896(98)00083-2

Reference yield:

benzyl chloroformate (501-53-1,94274-21-2) → 1-[(benzyloxy)carbonyl]piperidine-3-carbonyl chloride (216502-94-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 89 percent / NaOH / H₂O / 20 °C

2: oxalyl chloride; DMF / CH₂Cl₂ / 20 °C

With sodium hydroxide; oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; water;

DOI:10.1016/j.bmc.2004.10.013

Reference yield:

nipecotic acid (498-95-3,262853-93-0) → 1-[(benzyloxy)carbonyl]piperidine-3-carbonyl chloride (216502-94-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 89 percent / NaOH / H₂O / 20 °C

2: oxalyl chloride; DMF / CH₂Cl₂ / 20 °C

With sodium hydroxide; oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; water;

DOI:10.1016/j.bmc.2004.10.013

upstream raw materials:

1-benzyloxycarbonylpiperidine-3-carboxylic acid

benzyl chloroformate

nipecotic acid

Downstream raw materials:

benzyl-3-(2-hydroxy-3-(methoxycarbonyl)phenylcarbamoyl)piperidine-1-carboxylate

3-[6-(2-methoxy-phenyl)-pyrimidin-4-ylcarbamoyl]-piperidine-1-carboxylic acid benzyl ester

3-[6-(2-methoxy-phenyl)-2-methyl-pyrimidin-4-ylcarbamoyl]-piperidine-1-carboxylic acid benzyl ester

6-(2-methoxy-phenyl)-2-methyl-pyrimidin-4-ylamine