tert-Butyl 4-(6-chloropyrimidin-4-yl)piperazine-1-carboxylate

Base Information

Chemical Name:tert-Butyl 4-(6-chloropyrimidin-4-yl)piperazine-1-carboxylate
CAS No.:203519-88-4
Molecular Formula:C13H19 Cl N4 O2
Molecular Weight:298.772
Hs Code.:2933990090
European Community (EC) Number:891-525-1
DSSTox Substance ID:DTXSID90595672
Wikidata:Q72502723
Mol file:203519-88-4.mol

Synonyms:203519-88-4;tert-Butyl 4-(6-chloropyrimidin-4-yl)piperazine-1-carboxylate;4-(6-CHLORO-PYRIMIDIN-4-YL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;1-piperazinecarboxylic acid, 4-(6-chloro-4-pyrimidinyl)-, 1,1-dimethylethyl ester;1-Boc-4-(6-chloropyrimidin-4-yl)piperazine;4-(6-Chloro-pyrimidin-4-yl)-piperazine-1-carboxylic acidtert-butylester;SCHEMBL622957;DTXSID90595672;OKGUCUQGOHTRAC-UHFFFAOYSA-N;AMY18705;MFCD09607868;AKOS000266360;LS-06291;DB-066158;E83971;EN300-138598;A879696;1-(tert-butoxycarbonyl)-4-(6-chloro-pyrimidin-4-yl)piperazine;4-(6-Chloropyrimidin-4-yl)piperazine-1-carboxylic acid tert-butyl ester

Suppliers and Price of tert-Butyl 4-(6-chloropyrimidin-4-yl)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
4-(6-Chloro-pyrimidin-4-yl)-piperazine-1-carboxylicacidtert-butylester 95+%
250mg
$ 265.00

Crysdot
4-(6-Chloro-pyrimidin-4-yl)-piperazine-1-carboxylicacidtert-butylester 95+%
1g
$ 576.00

American Custom Chemicals Corporation
1-BOC-4-(6-CHLOROPYRIMIDIN-4-YL)PIPERAZINE 95.00%
5MG
$ 502.14

Alichem
tert-Butyl4-(6-chloropyrimidin-4-yl)piperazine-1-carboxylate
1g
$ 366.08

AK Scientific
tert-Butyl4-(6-chloropyrimidin-4-yl)piperazine-1-carboxylate
10g
$ 3141.00

Total 17 raw suppliers

Chemical Property of tert-Butyl 4-(6-chloropyrimidin-4-yl)piperazine-1-carboxylate

Chemical Property:

Vapor Pressure:7.54E-08mmHg at 25°C
Refractive Index:1.549
Boiling Point:437.3°Cat760mmHg
Flash Point:218.3°C
PSA：58.56000
Density:1.253g/cm³
LogP:2.19000
Storage Temp.:under inert gas (nitrogen or Argon) at 2-8°C
XLogP3:2.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:298.1196536
Heavy Atom Count:20
Complexity:340

Purity/Quality:

97% ^*data from raw suppliers

4-(6-Chloro-pyrimidin-4-yl)-piperazine-1-carboxylicacidtert-butylester 95+% ^*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)C2=CC(=NC=N2)Cl

Technology Process of tert-Butyl 4-(6-chloropyrimidin-4-yl)piperazine-1-carboxylate

There total 3 articles about tert-Butyl 4-(6-chloropyrimidin-4-yl)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: 91.0%

: 1193-21-1
4,6-dichloropyrimidine

: 57260-71-6
1-t-Butoxycarbonylpiperazine

: 203519-88-4
4-(6-chloropyrimidin-4-yl)piperazine-1-carboxylic acid tert-butyl ester

Guidance literature:: With triethylamine; In acetonitrile; at 120 ℃; for 2h; microwave irradiation;

Reference yield: 72.0%

: 1193-21-1
4,6-dichloropyrimidine

: 221050-88-0
4-(2-chloropyrimidin-4-yl)piperazine-1-carboxylic acid tert-butyl ester

: 203519-88-4
4-(6-chloropyrimidin-4-yl)piperazine-1-carboxylic acid tert-butyl ester

Guidance literature:: With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; sodium t-butanolate; In toluene; at 100 ℃; Inert atmosphere;
DOI:10.1016/j.bmc.2013.12.023

Reference yield:

: 203519-88-4
4-(6-chloropyrimidin-4-yl)piperazine-1-carboxylic acid tert-butyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: triethylamine / N,N-dimethyl-formamide / 4 h / 20 °C

2: sodium t-butanolate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾ / toluene / 100 °C / Inert atmosphere

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; triethylamine; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; sodium t-butanolate; In N,N-dimethyl-formamide; toluene; 2: |Buchwald-Hartwig Coupling;
DOI:10.1016/j.bmc.2013.12.023