1-Piperidinecarbonyl chloride, 4-(acetyloxy)-

Base Information

• Chemical Name: 1-Piperidinecarbonyl chloride, 4-(acetyloxy)-
• CAS No.: 496052-32-5
• Molecular Formula: C8H12ClNO3
• Molecular Weight: 205.63878
• European Community (EC) Number: 824-725-4
• DSSTox Substance ID: DTXSID50476271
• Nikkaji Number: J1.869.949D
• Wikidata: Q82307347
• Mol file: 496052-32-5.mol

Synonyms:496052-32-5;1-PIPERIDINECARBONYL CHLORIDE, 4-(ACETYLOXY)-;1-Piperidinecarbonyl chloride, 4-(acetyloxy)- (9CI);(1-carbonochloridoylpiperidin-4-yl) acetate;1-(Chlorocarbonyl)piperidin-4-yl acetate;SCHEMBL3059335;DTXSID50476271;1-(carboxy)piperidin-4-yl acetate;EN300-1726044;1-(CARBONOCHLORIDOYL)PIPERIDIN-4-YL ACETATE

Chemical Property of 1-Piperidinecarbonyl chloride, 4-(acetyloxy)-

Chemical Property:

• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 205.0505709
• Heavy Atom Count: 13
• Complexity: 211

Purity/Quality:

1-Piperidinecarbonylchloride,4-(acetyloxy)- ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1CCN(CC1)C(=O)Cl

Technology Process of 1-Piperidinecarbonyl chloride, 4-(acetyloxy)-

There total 3 articles about 1-Piperidinecarbonyl chloride, 4-(acetyloxy)- 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: 88.0%

bis(trichloromethyl) carbonate (32315-10-9) + 1-benzylpiperidin-4-yl acetate (94886-07-4) → 1-chlorocarbonylpiperidin-4-yl acetate (496052-32-5)

Guidance literature:

DOI:10.1021/jo0263622

Reference yield:

1-phenylmethyl-4-piperidone (3612-20-2) → 1-chlorocarbonylpiperidin-4-yl acetate (496052-32-5)

Guidance literature:

Multi-step reaction with 3 steps

1: NaBH₄ / methanol / 2 h / 18 °C

2: 2.25 g / pyridine / 6 h / 18 °C

With pyridine; sodium tetrahydroborate; In methanol;

DOI:10.1021/jo0263622

Reference yield:

1-benzyl-4-hydroxypiperidine (4727-72-4) → 1-chlorocarbonylpiperidin-4-yl acetate (496052-32-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 2.25 g / pyridine / 6 h / 18 °C

With pyridine;

DOI:10.1021/jo0263622

upstream raw materials:

bis(trichloromethyl) carbonate

1-benzylpiperidin-4-yl acetate

1-phenylmethyl-4-piperidone

1-benzyl-4-hydroxypiperidine

Refernces