N-Cbz-3-piperidinecarboxylic acid t-butyl ester

Base Information

• Chemical Name: N-Cbz-3-piperidinecarboxylic acid t-butyl ester
• CAS No.: 301180-04-1
• Molecular Formula: C18H25NO4
• Molecular Weight: 319.4
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID20404824
• Mol file: 301180-04-1.mol

Synonyms:N-Cbz-3-piperidinecarboxylic acid t-butyl ester;301180-04-1;1-O-benzyl 3-O-tert-butyl piperidine-1,3-dicarboxylate;1-BENZYL 3-TERT-BUTYL PIPERIDINE-1,3-DICARBOXYLATE;DTXSID20404824;MFCD04038570;AKOS015911711;AM807938;CS-0213346;FT-0655002;N-CBZ-3-PIPERIDINECARBOXYLICACIDT-BUTYLESTER;3-(1,1-Dimethylethyl) 1-(phenylmethyl) 1,3-piperidinedicarboxylate;1,3-Piperidinedicarboxylic acid, 3-(1,1-dimethylethyl) 1-(phenylmethyl) ester

Chemical Property of N-Cbz-3-piperidinecarboxylic acid t-butyl ester

Chemical Property:

• Vapor Pressure: 2.92E-07mmHg at 25°C
• Boiling Point: 420°C at 760 mmHg
• Flash Point: 207.8°C
• PSA: 55.84000
• Density: 1.128g/cm³
• LogP: 3.31480
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 319.17835828
• Heavy Atom Count: 23
• Complexity: 410

Purity/Quality:

98%Min ^*data from raw suppliers

1-Benzyl3-tert-butylpiperidine-1,3-dicarboxylate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)C1CCCN(C1)C(=O)OCC2=CC=CC=C2

Technology Process of N-Cbz-3-piperidinecarboxylic acid t-butyl ester

There total 1 articles about N-Cbz-3-piperidinecarboxylic acid t-butyl ester 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: 96.0%

tert-Butyl 2,2,2-trichloroacetimidate (98946-18-0) + 1-benzyloxycarbonylpiperidine-3-carboxylic acid (78190-11-1) → tert-butyl N-benzyloxycarbonyl nipecotate (301180-04-1)

Guidance literature:

With boron trifluoride diethyl etherate; In tetrahydrofuran; at 20 ℃; for 18h;

Reference yield: 94.0%

tert-butyl N-benzyloxycarbonyl nipecotate (301180-04-1) → tert-butyl piperidine-3-carboxylate (301180-05-2)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In ethanol;

upstream raw materials:

tert-Butyl 2,2,2-trichloroacetimidate

1-benzyloxycarbonylpiperidine-3-carboxylic acid

Downstream raw materials:

tert-butyl piperidine-3-carboxylate

Refernces