Tert-butyl 4-(2-oxoethyl)piperazine-1-carboxylate

Base Information

Chemical Name:Tert-butyl 4-(2-oxoethyl)piperazine-1-carboxylate
CAS No.:945953-41-3
Molecular Formula:C11H20N2O3
Molecular Weight:228.291
Hs Code.:2933599090
DSSTox Substance ID:DTXSID80587480
Wikidata:Q82479921
Mol file:945953-41-3.mol

Synonyms:945953-41-3;TERT-BUTYL 4-(2-OXOETHYL)PIPERAZINE-1-CARBOXYLATE;4-(2-Oxo-ethyl)-piperazine-1-carboxylic acid tert-butyl ester;SCHEMBL1498905;DTXSID80587480;1-Boc-4-(2-oxoethyl)piperazine;KGXKHDJWDRHJSH-UHFFFAOYSA-N;DB-079965;CS-0109761;tert-butyl 4-(2-oxoethyl)piperazine-l-carboxylate;tert-butyl 4-(formylmethyl)piperazine-1-carboxylate;TERT-BUTYL4-(2-OXOETHYL)PIPERAZINE-1-CARBOXYLATE

Suppliers and Price of Tert-butyl 4-(2-oxoethyl)piperazine-1-carboxylate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Crysdot
tert-Butyl4-(2-oxoethyl)piperazine-1-carboxylate 97%
1g
$ 673.00

American Custom Chemicals Corporation
4-(2-OXO-ETHYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER 95.00%
5MG
$ 503.62

AccelPharmtech
4-(2-oxoethyl)-1-Piperazinecarboxylicacid1,1-dimethylethylester 97.00%
25G
$ 3700.00

AccelPharmtech
4-(2-oxoethyl)-1-Piperazinecarboxylicacid1,1-dimethylethylester 97.00%
5G
$ 1950.00

Total 2 raw suppliers

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

Chemical Property:

Boiling Point:303.9±37.0 °C(Predicted)
PKA:4.93±0.10(Predicted)
PSA：49.85000
Density:1.083±0.06 g/cm3(Predicted)
LogP:0.61380
XLogP3:0.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:228.14739250
Heavy Atom Count:16
Complexity:252

Purity/Quality:

99% ^*data from raw suppliers

tert-Butyl4-(2-oxoethyl)piperazine-1-carboxylate 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)N1CCN(CC1)CC=O

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

There total 6 articles about Tert-butyl 4-(2-oxoethyl)piperazine-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: 100.0%

: 77279-24-4
tert-butyl 4-(2-hydroxyethyl)piperazine-1-carboxylate

: 945953-41-3
4-(2-oxoethyl)piperazine-1-carboxylic acid tert-butyl ester

Guidance literature:: tert-butyl 4-(2-hydroxyethyl)piperazine-1-carboxylate; With oxalyl dichloride; dimethyl sulfoxide; In dichloromethane; at -78 ℃; for 0.5h; Inert atmosphere;

With triethylamine; In dichloromethane; at -78 - 20 ℃; for 1.5h; Inert atmosphere;
DOI:10.1021/jm300268s

Reference yield: 81.0%

: 945953-41-3
4-(2-oxoethyl)piperazine-1-carboxylic acid tert-butyl ester

Guidance literature:: With oxalyl dichloride; dimethyl sulfoxide; triethylamine; In dichloromethane; at -78 - 20 ℃; Inert atmosphere;

Reference yield:

: 103-76-4
1-(2-hydroxyethyl)piperazine

: 945953-41-3
4-(2-oxoethyl)piperazine-1-carboxylic acid tert-butyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 90 percent / CHCl₃ / 24 h / 20 °C

2: 50 percent / DMSO; oxalyl chloride; Et₃N / CH₂Cl₂ / -60 - 20 °C

With oxalyl dichloride; dimethyl sulfoxide; triethylamine; In dichloromethane; chloroform; 2: Swern oxidation;
DOI:10.1021/jm070277a