1,3,7-Trimethyl-8-piperazin-1-yl-3,7-dihydro-purine-2,6-dione

Base Information

Chemical Name:1,3,7-Trimethyl-8-piperazin-1-yl-3,7-dihydro-purine-2,6-dione
CAS No.:50693-74-8
Molecular Formula:C12H18N6O2
Molecular Weight:278.31
Hs Code.:2933990090
DSSTox Substance ID:DTXSID20351662
Nikkaji Number:J1.169.804B
Wikidata:Q82128243
Mol file:50693-74-8.mol

Synonyms:1,3,7-Trimethyl-8-piperazin-1-yl-3,7-dihydro-purine-2,6-dione;50693-74-8;1,3,7-trimethyl-8-piperazin-1-ylpurine-2,6-dione;1,3,7-trimethyl-8-(piperazin-1-yl)-1h-purine-2,6(3h,7h)-dione;1,3,7-trimethyl-8-(piperazin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione;1,3,7-trimethyl-8-(piperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione;Oprea1_134053;Oprea1_443260;SCHEMBL531646;DTXSID20351662;CWQBJMULHKYRNB-UHFFFAOYSA-N;HMS1631L05;STK536938;AKOS000301111;WAY-299788;CS-0300838;SR-01000506507;SR-01000506507-1;Z57234252

Suppliers and Price of 1,3,7-Trimethyl-8-piperazin-1-yl-3,7-dihydro-purine-2,6-dione

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

Matrix Scientific
1,3,7-Trimethyl-8-piperazin-1-yl-3,7-dihydro-purine-2,6-dione
1g
$ 300.00

Crysdot
1,3,7-Trimethyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione 97%
5g
$ 874.00

CHESS?
AS008299:1,3,7-Trimethyl-8-piperazin-1-yl-3,7-dihydro-purine-2,6-dione 95
5 g
$ 1020.00

Chemenu
1,3,7-Trimethyl-8-(piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione 97%
5g
$ 825.00

American Custom Chemicals Corporation
1,3,7-TRIMETHYL-8-PIPERAZIN-1-YL-3,7-DIHYDRO-PURINE-2,6-DIONE 95.00%
500MG
$ 762.30

AK Scientific
1,3,7-Trimethyl-8-piperazin-1-yl-3,7-dihydro-purine-2,6-dione
1g
$ 455.00

Total 6 raw suppliers

Chemical Property of 1,3,7-Trimethyl-8-piperazin-1-yl-3,7-dihydro-purine-2,6-dione

Chemical Property:

PSA：77.09000
LogP:-1.22590
XLogP3:-0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:278.14912384
Heavy Atom Count:20
Complexity:424

Purity/Quality:

98%min ^*data from raw suppliers

1,3,7-Trimethyl-8-piperazin-1-yl-3,7-dihydro-purine-2,6-dione ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)C)C

Technology Process of 1,3,7-Trimethyl-8-piperazin-1-yl-3,7-dihydro-purine-2,6-dione

There total 3 articles about 1,3,7-Trimethyl-8-piperazin-1-yl-3,7-dihydro-purine-2,6-dione 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: 90.0%

: 110-85-0
piperazine

: 4921-49-7
8-chlorocaffeine

: 50693-74-8
8-piperazinocaffeine

Guidance literature:: In 2-methoxy-ethanol; at 120 ℃; for 3h; Microwave irradiation;
DOI:10.1007/s10600-020-03169-x

Reference yield: 48.0%

: 110-85-0
piperazine

: 10381-82-5
8-bromocaffeine

: 50693-74-8
8-piperazinocaffeine

Guidance literature:: DOI:10.1002/(SICI)1099-0690(199909)1999:9<2419::AID-EJOC2419>3.0.CO;2-1

Reference yield:

: 58-08-2,138455-22-8,95789-13-2
3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione

: 50693-74-8
8-piperazinocaffeine

Guidance literature:: Multi-step reaction with 2 steps

1: N-chloro-succinimide / water; dichloromethane / 24 h

2: 2-methoxy-ethanol / 3 h / 120 °C / Microwave irradiation

With N-chloro-succinimide; In dichloromethane; 2-methoxy-ethanol; water;
DOI:10.1007/s10600-020-03169-x