Tert-butyl Piperidine-3-carboxylate

Base Information

• Chemical Name: Tert-butyl Piperidine-3-carboxylate
• CAS No.: 301180-05-2
• Molecular Formula: C10H19 N O2
• Molecular Weight: 185.266
• Hs Code.: 2933399090
• European Community (EC) Number: 812-026-7
• Mol file: 301180-05-2.mol

Synonyms:Tert-butyl Piperidine-3-carboxylate;301180-05-2;Piperidine-3-carboxylic acid tert-butyl ester;3-piperidinecarboxylic acid t-butyl ester;3-Piperidinecarboxylic acid, 1,1-dimethylethyl ester;tert-butyl nipecotate;(R)-Piperidine-3-carboxylic acid tert-butyl ester;(S)-Piperidine-3-carboxylic acid tert-butyl ester;SCHEMBL160676;RHNAXBBEIVHVQT-UHFFFAOYSA-N;Tert-butylPiperidine-3-carboxylate;MFCD11041017;AKOS010134435;CS-W001526;SB32752;SB36464;SB39861;FT-0655398;EN300-135456;J-524814;F8881-3501;Z600614476

Chemical Property of Tert-butyl Piperidine-3-carboxylate

Chemical Property:

• Vapor Pressure: 0.0369mmHg at 25°C
• Refractive Index: 1.452
• Boiling Point: 278.6°Cat760mmHg
• PKA: 9.28±0.10(Predicted)
• Flash Point: 122.3°C
• PSA: 38.33000
• Density: g/cm³
• LogP: 2.45850
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 185.141578849
• Heavy Atom Count: 13
• Complexity: 184

Purity/Quality:

97% ^*data from raw suppliers

tert-Butylpiperidine-3-carboxylate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 37/38-41-51
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)C1CCCNC1

Technology Process of Tert-butyl Piperidine-3-carboxylate

There total 1 articles about Tert-butyl 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: 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;

Reference yield: 72.0%

tert-butyl piperidine-3-carboxylate (301180-05-2) + 2-bromo-N-<(4-methoxycarbonyl)phenyl>acetamide (172839-52-0) → C20H28N2O5

Guidance literature:

In isopropyl alcohol; for 4h; Inert atmosphere;

DOI:10.1021/jacs.1c07060

Reference yield: 63.5%

tert-butyl piperidine-3-carboxylate (301180-05-2) + 2-chloro-1-(4-(2-(3,4-dimethoxyphenyl)-3-isopropyl-1H-indol-5-yl)piperidin-1-yl)ethanone → tert-butyl 1-(2-(4-(2-(3,4-dimethoxyphenyl)-3-isopropyl-1H-indol-5-yl)piperidin-1-yl)-2-oxoethyl)piperidine-3-carboxylate

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃; for 16h; Inert atmosphere;

upstream raw materials:

tert-butyl N-benzyloxycarbonyl nipecotate

Downstream raw materials:

N-{3-[5-(4-amidinophenoxycarbonyl)furan-2-yl]-2-methylpropanoyl}nipecotic acid trifluoroacetic acid salt