tert-Butyl-4-cyano-4-(dimethyl amino) piperidine-1-carboxylate

Base Information

• Chemical Name: tert-Butyl-4-cyano-4-(dimethyl amino) piperidine-1-carboxylate
• CAS No.: 110694-59-2
• Molecular Formula: C12H23 N O4
• Molecular Weight: 245.319
• Hs Code.: 2924199090
• Mol file: 110694-59-2.mol

Synonyms:tert-Butyl-4-cyano-4-(dimethyl amino) piperidine-1-carboxylate

Chemical Property of tert-Butyl-4-cyano-4-(dimethyl amino) piperidine-1-carboxylate

Chemical Property:

• PSA: 64.63000
• LogP: 2.48970

Purity/Quality:

1-N-BOC-4-CYANO-4-DIMETHYLAMINOPIPERIDINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of tert-Butyl-4-cyano-4-(dimethyl amino) piperidine-1-carboxylate

There total 2 articles about tert-Butyl-4-cyano-4-(dimethyl amino) 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: 96.0%

t-Boc-L-valine (13734-41-3) + ethanol (64-17-5) → N-tertbutyloxycarbonyl-S-valine methyl ester (110694-59-2)

Guidance literature:

With MPEG-supported EDCI; MPEG-supported DMAP; In dichloromethane; at 25 ℃; Inert atmosphere;

DOI:10.1039/c0cc00415d

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) + L-Valine ethyl ester hydrochloride (17609-47-1) → N-tertbutyloxycarbonyl-S-valine methyl ester (110694-59-2)

Guidance literature:

L-Valine ethyl ester hydrochloride; With sodium carbonate; In 1,4-dioxane; water; at 20 ℃; Inert atmosphere;

di-tert-butyl dicarbonate; In 1,4-dioxane; water; at 0 - 20 ℃; for 3h; Inert atmosphere;

DOI:10.3390/molecules19067429

Reference yield:

N-tertbutyloxycarbonyl-S-valine methyl ester (110694-59-2) → t-Boc-L-valine (13734-41-3)

Guidance literature:

With sodium tetrahydroborate; lithium chloride; In ethanol; at 0 - 20 ℃; for 18h; Inert atmosphere;

DOI:10.3390/molecules19067429

upstream raw materials:

t-Boc-L-valine

ethanol

di-tert-butyl dicarbonate

L-Valine ethyl ester hydrochloride

Downstream raw materials:

(S)-2-<(tert-butoxycarbonyl)amino>-3-methylbutan-1-ol

(3S)-3-(tert-butoxycarbonylamino)-4-methyl-1-pentene

Boc-Val-CH2Cl

tert-butyl (S)-2-methyl-1-((S)-oxiran-2-yl)propylcarbamate

Refernces

• 1、 Hayashida, Osamu,Sebo, Lubomir,Rebek Jr., Julius. "Molecular discrimination of N-protected amino acid esters by a self-assembled cylindrical capsule: spectroscopic and computational studies.". . p. 8291 - 8298. Retrieved 2002.
• 2、 An, Yunfei,Fan, Haiyan,Han, Jun,Liu, Wenxia,Sun, Bin,Xie, Honglei. "Construction and activity evaluation of novel benzodioxane derivatives as dual-target antifungal inhibitors". . . Retrieved 2021/11/09.