N-Boc-3-Carboethoxy-4-piperidone

Base Information

• Chemical Name: N-Boc-3-Carboethoxy-4-piperidone
• CAS No.: 98977-34-5
• Molecular Formula: C13H21NO5
• Molecular Weight: 271.313
• Hs Code.: 29333990
• European Community (EC) Number: 619-384-1
• DSSTox Substance ID: DTXSID20423590
• Nikkaji Number: J887.394A
• Mol file: 98977-34-5.mol

Synonyms:98977-34-5;N-Boc-3-Carboethoxy-4-piperidone;1-tert-butyl 3-ethyl 4-oxopiperidine-1,3-dicarboxylate;1-N-Boc-4-oxo-3-piperidinecarboxylic acid ethyl ester;4-Oxo-piperidine-1,3-dicarboxylic acid 1-tert-butyl ester 3-ethyl ester;1-O-tert-butyl 3-O-ethyl 4-oxopiperidine-1,3-dicarboxylate;MFCD01862189;O1-tert-butyl O3-ethyl 4-oxopiperidine-1,3-dicarboxylate;Ethyl 1-Boc-4-oxo-3-piperidinecarboxylate;1-tert-butoxycarbonyl-3-ethoxycarbonyl-4-piperidone;4-oxopiperidine-1,3-dicarboxylic acid 1-tert-butyl 3-ethyl ester;N-Boc-4-Oxo-3-piperidinecarboxylic acid ethyl ester;Ethyl N-Boc-4-oxopiperidine-3-carboxylate;SCHEMBL183637;DTXSID20423590;1-(1,1-Dimethylethyl) 3-ethyl 4-oxopiperidine-1,3-dicarboxylate;BCP22266;1-Boc-3-ethoxycarbonyl-4-piperidone;BBL100062;STL511034;AKOS015843369;BS-4926;CS-W001694;1,3-Piperidinedicarboxylic acid, 4-oxo-, 1-(1,1-dimethylethyl) 3-ethyl ester;1-BOC-3-(ethoxycarbonyl)piperidin-4-one;AC-24349;AM804631;BP-11667;SY018509;E0983;FT-0649561;EN300-93654;J-523501;N-Boc-4-Oxo-3-piperidinecarboxylic acidethyl ester;1-Boc-4-oxo-3-piperidinecarboxylic Acid Ethyl Ester;1-t-butyl 3-ethyl 4-oxopiperidine-1,3-dicarboxylate;1-tert-butoxycarbonyl-3-ethoxycarbonyl-piperidin-4-one;1-tert-butoxycarbonyl-3-ethoxycarbonylpiperidin-4-one;1-tert-butyl3-ethyl4-oxopiperidine-1,3-dicarboxylate;1-tert-Butyl 3-ethyl 4-oxo-1,3-piperidinedicarboxylate;1-tert-Butyl-3-ethyl 4-oxopiperidine-1,3-dicarboxylate;Z1267883021;Ethyl 1-tert-Butoxycarbonyl-4-oxo-3-piperidinecarboxylate;ethyl 1-tert-butyloxycarbonyl-4-oxo-3-piperidine carboxylate;1-tert-Butoxycarbonyl-4-oxo-3-piperidinecarboxylic Acid Ethyl Ester;4-oxo-piperidine-1,3-dicarboxylic acid-1-tert-butyl ester-3-ethyl ester;1-(tert-butoxycarbonyl)-3-ethyl-4-oxopiperidine-3-carboxylic acid

Chemical Property of N-Boc-3-Carboethoxy-4-piperidone

Chemical Property:

• Vapor Pressure: 1.66E-05mmHg at 25°C
• Melting Point: 62.0 to 66.0 °C
• Refractive Index: 1.482
• Boiling Point: 364.593 °C at 760 mmHg
• PKA: 11.08±0.20(Predicted)
• Flash Point: 174.3 °C
• PSA: 72.91000
• Density: 1.153 g/cm³
• LogP: 1.31350
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 271.14197277
• Heavy Atom Count: 19
• Complexity: 372

Purity/Quality:

98% ^*data from raw suppliers

4-Oxo-piperidine-1,3-dicarboxylicacid1-tert-butylester3-ethylester 95%+ ^*data from reagent suppliers

Safty Information:

• Statements: 36/38
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1CN(CCC1=O)C(=O)OC(C)(C)C

Technology Process of N-Boc-3-Carboethoxy-4-piperidone

There total 2 articles about N-Boc-3-Carboethoxy-4-piperidone 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:

C9H14O3NC6H5 (41276-30-6) → 1-tert-butyl 3-ethyl 4-oxopiperidine-1,3-dicarboxylate (98977-34-5)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂ / Pd/C / ethanol; H₂O / 20 °C / 2585.74 Torr

2: aq. NaHCO₃; NaCl / CHCl₃ / 60 °C

With hydrogen; sodium hydrogencarbonate; sodium chloride; palladium on activated charcoal; In ethanol; chloroform; water;

DOI:10.1016/j.bmcl.2005.06.033

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) + C9H14O3NC6H5 (41276-30-6) → 1-tert-butyl 3-ethyl 4-oxopiperidine-1,3-dicarboxylate (98977-34-5)

Guidance literature:

With palladium on activated charcoal; hydrogen;

Reference yield: 100.0%

(S)-1-phenyl-ethylamine (2627-86-3) + 1-tert-butyl 3-ethyl 4-oxopiperidine-1,3-dicarboxylate (98977-34-5) → 4-((S)-1-phenylethylamino)-5,6-dihydro-2H-pyridine-1,3-dicarboxylic acid 1-tert-butyl ester 3-ethyl ester

Guidance literature:

With toluene-4-sulfonic acid; In toluene; for 18h; Reflux; Inert atmosphere;

DOI:10.1021/acs.jmedchem.0c01588

upstream raw materials:

C₉H₁₄O₃NC₆H₅

di-tert-butyl dicarbonate

Downstream raw materials:

5-tert-butoxycarbonyl-3-oxo-2,3,4,5,6,7-hexahydropyrazolo<4,3-c>pyridine

4-((R)-1-phenylethylamino)-5,6-dihydro-2H-pyridine-1,3-dicarboxylic acid 1-tert-butyl ester 3-ethyl ester

4-amino-5,6-dihydro-2H-pyridine-1,3-dicarboxylic acid 1-tert-butyl ester 3-ethyl ester

1-(tert-butyl) 3-ethyl (3S,4R)-4-(((R)-1-phenylethyl)amino)piperidine-1,3-dicarboxylate