1,3-Dimethyl-1h-pyrrolo[2,3-d]pyrimidine-2,4(3h,7h)-dione

Base Information

Chemical Name:1,3-Dimethyl-1h-pyrrolo[2,3-d]pyrimidine-2,4(3h,7h)-dione
CAS No.:39112-72-6
Molecular Formula:C8H9N3O2
Molecular Weight:179.176
Hs Code.:2933990090
NSC Number:79227
DSSTox Substance ID:DTXSID60192359
Nikkaji Number:J72.973F
Wikidata:Q83065015
ChEMBL ID:CHEMBL39852
Mol file:39112-72-6.mol

Synonyms:1,3-dimethyl-1h-pyrrolo[2,3-d]pyrimidine-2,4(3h,7h)-dione;39112-72-6;1H-Pyrrolo(2,3-d)pyrimidine-2,4(3H,7H)-dione, 1,3-dimethyl-;1,3-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione;CHEMBL39852;1,3-Dimethyl-1H-pyrrolo(2,3-d)pyrimidine-2,4(3H,7H)-dione;1H-Pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione, 1,3-dimethyl-;NSC 79227;BRN 0610903;NSC79227;1,3-Dimethyl-1H-pyrrolo[2,3-d]-pyrimidine-2,4(3H,7H)-dione;SCHEMBL609776;DTXSID60192359;1,3-dimethyl-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidine-2,4-dione;BDBM50041587;MFCD01133763;NSC-79227;STL228965;AKOS000265310;1,3-Dimethyl-1,7-dihydro-pyrrolo[2,3-d]pyrimidine-2,4-dione;1H-Pyrrolo[3,2-d]pyrimidine-5,7(4H,6H)-dione, 4,6-dimethyl-

Suppliers and Price of 1,3-Dimethyl-1h-pyrrolo[2,3-d]pyrimidine-2,4(3h,7h)-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

American Custom Chemicals Corporation
1,3-DIMETHYL-1H,2H,3H,4H,7H-PYRROLO[2,3-D]PYRIMIDINE-2,4-DIONE 95.00%
5MG
$ 505.08

Total 5 raw suppliers

Chemical Property of 1,3-Dimethyl-1h-pyrrolo[2,3-d]pyrimidine-2,4(3h,7h)-dione

Chemical Property:

Vapor Pressure:1.17E-05mmHg at 25°C
Melting Point:300 °C
Boiling Point:369.6°Cat760mmHg
PKA:15.80±0.20(Predicted)
Flash Point:177.3°C
PSA：59.79000
Density:1.381g/cm³
LogP:-0.43470
XLogP3:-0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:179.069476538
Heavy Atom Count:13
Complexity:266

Purity/Quality:

99% ^*data from raw suppliers

1,3-DIMETHYL-1H,2H,3H,4H,7H-PYRROLO[2,3-D]PYRIMIDINE-2,4-DIONE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C2=C(C=CN2)C(=O)N(C1=O)C

Technology Process of 1,3-Dimethyl-1h-pyrrolo[2,3-d]pyrimidine-2,4(3h,7h)-dione

There total 5 articles about 1,3-Dimethyl-1h-pyrrolo[2,3-d]pyrimidine-2,4(3h,7h)-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: 75.0%

: 128751-18-8
6-Amino-5-(2,2-diethoxyethyl)-1,3-dimethylpyrimidine-2,4-dione

: 39112-72-6
1,3-Dimethylpyrrolo<2,3-d>pyrimidine-2,4-dione

Guidance literature:: With hydrogenchloride; for 1h; Ambient temperature;

Reference yield: 51.0%

: 107-20-0
2-chloroethanal

: 6642-31-5
6-Amino-1,3-dimethylbarbituric acid

: 39112-72-6
1,3-Dimethylpyrrolo<2,3-d>pyrimidine-2,4-dione

Guidance literature:: With sodium acetate; In water; at 70 ℃; for 0.25h;

Reference yield:

: 6642-31-5
6-Amino-1,3-dimethylbarbituric acid

: 97-97-2
chloroacetaldehyde dimethyl acetal

: 39112-72-6
1,3-Dimethylpyrrolo<2,3-d>pyrimidine-2,4-dione

Guidance literature:: chloroacetaldehyde dimethyl acetal; With hydrogenchloride; water; at 22 - 26 ℃; Reflux;

6-Amino-1,3-dimethylbarbituric acid; With sodium acetate; In water; at 90 ℃; for 0.666667h;