1H-Purine-2,6-dione, 3,9-dihydro-8-(hydroxymethyl)-3-methyl-

Base Information

Chemical Name:1H-Purine-2,6-dione, 3,9-dihydro-8-(hydroxymethyl)-3-methyl-
CAS No.:27038-81-9
Molecular Formula:C7H8 N4 O3
Molecular Weight:196.166
Hs Code.:
NSC Number:107438
DSSTox Substance ID:DTXSID30296070
Wikidata:Q82036401
ChEMBL ID:CHEMBL1701960

Synonyms:27038-81-9;MLS002703974;8-(hydroxymethyl)-3-methyl-2,3,6,9-tetrahydro-1H-purine-2,6-dione;1H-Purine-2,6-dione, 3,9-dihydro-8-(hydroxymethyl)-3-methyl-;NSC107438;8-(hydroxymethyl)-3-methyl-7H-purine-2,6-dione;CHEMBL1701960;SCHEMBL15923525;SCHEMBL24476462;DTXSID30296070;8-hydroxymethyl-3-methyl xanthine;MWXFBYOMAQPKEK-UHFFFAOYSA-N;NSC-107438;SMR001570684;EN300-2811151;Z1262692981;8-(hydroxymethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione

Suppliers and Price of 1H-Purine-2,6-dione, 3,9-dihydro-8-(hydroxymethyl)-3-methyl-

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

Total 4 raw suppliers

Chemical Property of 1H-Purine-2,6-dione, 3,9-dihydro-8-(hydroxymethyl)-3-methyl-

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
Density:1.611g/cm³
XLogP3:-1.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:196.05964013
Heavy Atom Count:14
Complexity:282

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C2=C(C(=O)NC1=O)NC(=N2)CO

Technology Process of 1H-Purine-2,6-dione, 3,9-dihydro-8-(hydroxymethyl)-3-methyl-

There total 2 articles about 1H-Purine-2,6-dione, 3,9-dihydro-8-(hydroxymethyl)-3-methyl- 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: 79.0%

: 79-14-1
glycolic Acid

: 6972-82-3
5,6-diamino-1-methyluracil

: 27038-81-9
8-(hydroxymethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione

Guidance literature:: glycolic Acid; 5,6-diamino-1-methyluracil; In water;

With sodium hydroxide; In water;
DOI:10.1248/cpb.c12-01046

Reference yield: 78.8%

: 6972-82-3
5,6-diamino-1-methyluracil

: 298-12-4
Glyoxilic acid

: 27038-81-9
8-(hydroxymethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione

Guidance literature:: 5,6-diamino-1-methyluracil; Glyoxilic acid; In water; at 100 ℃; for 3.5h;

With sodium hydroxide; at 100 ℃; for 3.5h;

Reference yield:

: 27038-81-9
8-(hydroxymethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione

: 8-(((2-chloro-6-fluorobenzyl)amino)methyl)-1-ethyl-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dion

Guidance literature:: Multi-step reaction with 4 steps

1: N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 40 °C

2: potassium carbonate / N,N-dimethyl-formamide / 4 h / 70 °C

3: phosphorus tribromide / dichloromethane / 1 h / 0 - 20 °C

4: N-ethyl-N,N-diisopropylamine / 1,2-dimethoxyethane / 20 °C

With phosphorus tribromide; potassium carbonate; N-ethyl-N,N-diisopropylamine; In 1,2-dimethoxyethane; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1016/j.bioorg.2020.104033