Tert-butyl 4-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate

Base Information

• Chemical Name: Tert-butyl 4-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate
• CAS No.: 175213-46-4
• Molecular Formula: C13H23NO4
• Molecular Weight: 257.33
• Hs Code.: 29333990
• DSSTox Substance ID: DTXSID70363831
• Wikidata: Q72488356
• Mol file: 175213-46-4.mol

Synonyms:175213-46-4;Methyl 1-Boc-4-piperidineacetate;tert-butyl 4-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate;N-Boc-piperidin-4-yl-acetic acid methyl ester;Methyl 1-N-Boc-4-piperidineacetate;t-Butyl 4-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate;METHYL N-BOC-PIPERIDINE-4-ACETATE;4-Piperidineacetic acid, 1-[(1,1-dimethylethoxy)carbonyl]-, methyl ester;MFCD01632529;1-Boc-4-piperidineacetic acid methyl ester;SCHEMBL106242;DTXSID70363831;tert-butyl 4-(2-methoxy-2-oxo-ethyl)piperidine-1-carboxylate;BBL103798;STL557608;TERT-BUTYL 4-((METHOXYCARBONYL)METHYL)PIPERIDINE-1-CARBOXYLATE;AKOS015851524;CS-W001886;GS-4214;PB27541;AM100381;SY007490;N-Boc-piperidin-4-yl-aceticacidmethylester;A3886;FT-0630004;EN300-783070;Methyl (1-tert-butoxycarbonylpiperidin-4-yl)acetate;N-BOC-4-PIPERIDINE ACETIC ACID METHYL ESTER;Q-102135;1-t-butoxycarbonyl-4-(methoxycarbonyl methyl)piperidine;methyl 2-(1-tert-butoxycarbonyl-4-piperidinyl)-acetate;4-METHOXYCARBONYLMETHYL-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

Chemical Property of Tert-butyl 4-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate

Chemical Property:

• Vapor Pressure: 0.000267mmHg at 25°C
• Refractive Index: 1.466
• Boiling Point: 323.1 °C at 760 mmHg
• PKA: -1.88±0.40(Predicted)
• Flash Point: 149.2 °C
• PSA: 55.84000
• Density: 1.062 g/cm³
• LogP: 2.13450
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 257.16270821
• Heavy Atom Count: 18
• Complexity: 301

Purity/Quality:

98%,99%, ^*data from raw suppliers

Methyl1-Boc-4-piperidineacetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCC(CC1)CC(=O)OC

Technology Process of Tert-butyl 4-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate

There total 9 articles about Tert-butyl 4-(2-methoxy-2-oxoethyl)piperidine-1-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: 99.0%

1-tert-butoxycarbonyl-4-[(methoxycarbonyl)methylene]piperidine (169206-65-9) → 1-t-Butoxycarbonyl-4-(methoxycarbonylmethyl)piperidine (175213-46-4)

Guidance literature:

palladium-carbon; In ethanol;

Reference yield: 87.0%

di-tert-butyl dicarbonate (24424-99-5) + 4-piperidine acetic acid methyl ester (168986-49-0) → 1-t-Butoxycarbonyl-4-(methoxycarbonylmethyl)piperidine (175213-46-4)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; for 3h;

Reference yield: 82.0%

potassium methanolate (865-33-8) + 4-(2-hydroxyethyl)piperidine-1-carboxylic acid tert-butyl ester (89151-44-0) → 1-t-Butoxycarbonyl-4-(methoxycarbonylmethyl)piperidine (175213-46-4)

Guidance literature:

With tellurium; bismuth (III) nitrate pentahydrate; 5%-palladium/activated carbon; oxygen; In methanol; at 60 ℃; for 8h; under 760.051 Torr;

DOI:10.1021/ol402428e

upstream raw materials:

2-(1-(tert-butoxycarbonyl)piperidin-4-yl)acetic acid

diazomethyl-trimethyl-silane

1-tert-butoxycarbonyl-4-[(methoxycarbonyl)methylene]piperidine

pyrographite

Downstream raw materials:

methyl piperidine-4-acetate hydrochloride

tert-butyl 4-(1-(3-fluoro-2-pivalamidophenyl)-1-hydroxy-3-methoxy-3-oxopropan-2-yl)piperidine-1-carboxylate

tert-butyl 4-(1-methoxy-2-methyl-1-oxopropan-2-yl)piperidine-1-carboxylate

4-(bromo-carboxy-methyl)-piperidine-1-carboxylic acid tert-butyl ester

Refernces

• 1、 Wang, Jingjing,Jiang, Feng,Tao, Chaofu,Yu, Han,Ruhlmann, Laurent,Wei, Yongge. "Oxidative esterification of alcohols by a single-side organically decorated Anderson-type chrome-based catalyst". supporting information. p. 2652 - 2657. Retrieved 2021/04/21.
• 2、 -. "SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1". Page/Page column 727. . Retrieved 2018/01/20.