Tert-butyl 4-(6-amino-5-nitropyrimidin-4-yl)piperazine-1-carboxylate

Base Information

Chemical Name:Tert-butyl 4-(6-amino-5-nitropyrimidin-4-yl)piperazine-1-carboxylate
CAS No.:245450-04-8
Molecular Formula:C13H20N6O4
Molecular Weight:324.34
Hs Code.:2933990090
DSSTox Substance ID:DTXSID40467416
Wikidata:Q82294358
Mol file:245450-04-8.mol

Synonyms:245450-04-8;tert-butyl 4-(6-amino-5-nitropyrimidin-4-yl)piperazine-1-carboxylate;SCHEMBL7660292;DTXSID40467416;LNXNCBYJFQILQY-UHFFFAOYSA-N;AKOS015958282;4-(6-amino-5-nitro-4-pyrimidinyl)-1-piperazinecarboxylic acid tert-butyl ester;FT-0729308;F2147-0936;tert-butyl4-(6-amino-5-nitropyrimidin-4-yl)piperazine-1-carboxylate;4-(6-AMINO-5-NITRO-4-PYRIMIDINYL)-1-PIPERAZINECARBOXYLIC ACID 1,1-DIMETHYLETHYL ESTER

Suppliers and Price of Tert-butyl 4-(6-amino-5-nitropyrimidin-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
tert-Butyl4-(6-amino-5-nitropyrimidin-4-yl)piperazine-1-carboxylate 95+%
1g
$ 491.00

Chemenu
tert-butyl4-(6-amino-5-nitropyrimidin-4-yl)piperazine-1-carboxylate 95%
1g
$ 464.00

American Custom Chemicals Corporation
1-BOC-4-(6-AMINO-5-NITRO-4-PYRIMIDINYL)PIPERAZINE 95.00%
5MG
$ 504.11

Alichem
tert-Butyl4-(6-amino-5-nitropyrimidin-4-yl)piperazine-1-carboxylate
1g
$ 425.06

Total 4 raw suppliers

Chemical Property of Tert-butyl 4-(6-amino-5-nitropyrimidin-4-yl)piperazine-1-carboxylate

Chemical Property:

Vapor Pressure:1.83E-11mmHg at 25°C
Boiling Point:533.6°C at 760 mmHg
Flash Point:276.5°C
PSA：130.40000
Density:1.348g/cm³
LogP:2.13140
Storage Temp.:2-8°C
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:3
Exact Mass:324.15460314
Heavy Atom Count:23
Complexity:441

Purity/Quality:

99% ^*data from raw suppliers

tert-Butyl4-(6-amino-5-nitropyrimidin-4-yl)piperazine-1-carboxylate 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=NC=NC(=C2[N+](=O)[O-])N

Technology Process of Tert-butyl 4-(6-amino-5-nitropyrimidin-4-yl)piperazine-1-carboxylate

There total 2 articles about Tert-butyl 4-(6-amino-5-nitropyrimidin-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: 87.0%

: 4316-94-3
6-chloro-5-nitropyrimidin-4-amine

: 57260-71-6
1-t-Butoxycarbonylpiperazine

: 245450-04-8
4-(6-amino-5-nitro-4-pyrimidinyl)-1-piperazinecarboxylic acid tert-butyl ester

Guidance literature:: With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20 ℃; for 8h;

Reference yield:

: 4316-93-2
4,6-dichloro-5-nitropyrimidine

: 57260-71-6
1-t-Butoxycarbonylpiperazine

: 245450-04-8
4-(6-amino-5-nitro-4-pyrimidinyl)-1-piperazinecarboxylic acid tert-butyl ester

Guidance literature:: With ammonia; triethylamine; In N-methyl-acetamide; dichloromethane;

Reference yield:

: 245450-04-8
4-(6-amino-5-nitro-4-pyrimidinyl)-1-piperazinecarboxylic acid tert-butyl ester

: 4-(8-oxo-8,9-dihydro-7H-purin-6-yl)-piperazine-1-carboxylic acid (4-phenoxy-phenyl)-amide

Guidance literature:: Multi-step reaction with 4 steps

1: H₂ / Pd/C / H₂O / 2 h / 20 °C

2: 161 mg / Et₃M / dimethylformamide / 4.5 h / 80 °C

3: CF₃COOH / CH₂Cl₂ / 1.5 h / cooling

4: Et₃N / dimethylformamide / 20 °C

With hydrogen; triethylamine; trifluoroacetic acid; palladium on activated charcoal; In dichloromethane; water; N,N-dimethyl-formamide;
DOI:10.1021/jm020505v