Benzyl piperidine-3-carboxylate

Base Information

• Chemical Name: Benzyl piperidine-3-carboxylate
• CAS No.: 97231-90-8
• Molecular Formula: C13H17NO2
• Molecular Weight: 219.283
• DSSTox Substance ID: DTXSID70540226
• Mol file: 97231-90-8.mol

Synonyms:benzyl piperidine-3-carboxylate;97231-90-8;3-Piperidinecarboxylic acid, phenylmethyl ester;benzylpiperidine-3-carboxylate;Benzyl nipecotate;SCHEMBL611205;DTXSID70540226;DMFIILJDODEYHQ-UHFFFAOYSA-N;XDA23190;MFCD14611752;AKOS010530435;DS-13181;2-ACETYL-5-OXO-HEXANOICACIDETHYLESTER;AM20050020;CS-0156251;C77337;A845698

Chemical Property of Benzyl piperidine-3-carboxylate

Chemical Property:

• Vapor Pressure: 0.000216mmHg at 25°C
• Flash Point: 151.2°C
• Density: 1.092
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 219.125928785
• Heavy Atom Count: 16
• Complexity: 224

Purity/Quality:

99% ^*data from raw suppliers

BenzylPiperidine-3-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(CNC1)C(=O)OCC2=CC=CC=C2

Technology Process of Benzyl piperidine-3-carboxylate

There total 3 articles about Benzyl piperidine-3-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: 100.0%

piperidine-1,3-dicarboxylic acid 3-benzyl ester 1-tert-butyl ester (139985-95-8) → piperidine-3-carboxylic acid benzyl ester (97231-90-8,153545-05-2,153545-06-3)

Guidance literature:

piperidine-1,3-dicarboxylic acid 3-benzyl ester 1-tert-butyl ester; With trifluoroacetic acid; In dichloromethane; for 3h;

With sodium hydroxide; In water;

Reference yield: 72.0%

→ piperidine-3-carboxylic acid benzyl ester (97231-90-8,153545-05-2,153545-06-3)

Guidance literature:

Reference yield: 54.0%

Piperidine-1,3-dicarboxylic acid dibenzyl ester (97231-84-0) → piperidine-3-carboxylic acid benzyl ester (97231-90-8,153545-05-2,153545-06-3)

Guidance literature:

With bromocatecholborane; In dichloromethane; for 2h; Ambient temperature;

DOI:10.1016/S0040-4039(00)99058-0

upstream raw materials:

Piperidine-1,3-dicarboxylic acid dibenzyl ester

piperidine-1,3-dicarboxylic acid 3-benzyl ester 1-tert-butyl ester

Downstream raw materials:

benzyl 1-(pyridin-2-yl)piperidine-3-carboxylate

benzyl 1-cyclopentylpiperidine-3-carboxylate

(+/-)-1-[5-(2-Adamantan-1-yl-ethyl)-2-o-tolyl-1H-imidazole-4-carbonyl]-piperidine-3-carboxylic Acid

Refernces

• 1、 -. "BETA-SECRETASE MODULATORS AND METHODS OF USE". Page/Page column 87-88. . Retrieved 2010/11/27.
• 2、 Boeckman, Robert K.,Potenza, Joan C.. "CATECHOL BORON HALIDES: MILD AND SELECTIVE REAGENTS FOR CLEAVAGE OF COMMON PROTECTING GROUPS". . p. 1411 - 1414. Retrieved 2007/10/02.