4-Amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidine-3-carbothioamide

Base Information

Chemical Name:4-Amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidine-3-carbothioamide
CAS No.:55559-54-1
Molecular Formula:C11H14N6O4S
Molecular Weight:326.336
Hs Code.:
DSSTox Substance ID:DTXSID00408981
NSC Number:166618

Synonyms:NSC166618;55559-54-1;DTXSID00408981;NSC-166618

Suppliers and Price of 4-Amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidine-3-carbothioamide

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Total 1 raw suppliers

Chemical Property of 4-Amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidine-3-carbothioamide

Chemical Property:

Vapor Pressure:2.39E-23mmHg at 25°C
Boiling Point:745.6°Cat760mmHg
Flash Point:404.7°C
Density:2.17g/cm³
XLogP3:-2
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:3
Exact Mass:326.07972412
Heavy Atom Count:22
Complexity:445

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=NC(=C2C(=NN(C2=N1)C3C(C(C(O3)CO)O)O)C(=S)N)N

Technology Process of 4-Amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidine-3-carbothioamide

There total 7 articles about 4-Amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidine-3-carbothioamide 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: 52.0%

: 90318-68-6
1-(2',3',5'-Tri-O-acetyl-β-D-ribofuranosyl)-3-thiocarbamoyl-4-methylmercaptopyrazolo<3,4-d>pyrimidine

: 55559-54-1
1-(β-D-Ribofuranosyl)-3-thiocarbamoyl-4-aminopyrazolo<3,4-d>pyrimidine

Guidance literature:: With ammonia; In methanol; at 100 ℃; for 8h;
DOI:10.1007/BF00506295

Reference yield:

: 54385-49-8
5-amino-1H-pyrazole-3,4-dicarbonitrile

: 55559-54-1
1-(β-D-Ribofuranosyl)-3-thiocarbamoyl-4-aminopyrazolo<3,4-d>pyrimidine

Guidance literature:: Multi-step reaction with 6 steps

1: 3 h / 100 - 110 °C

2: 1) CH₃ONa; 2) H₂S / 1) MeOH; 2) reflux, 4 h

3: 89 percent / 1M aq. NaOH / H₂O / 2 h / 20 °C

4: 61 percent / Iodine / 0.75 h / 165 °C / 10 - 15 Torr

5: 53 percent / H₂S, Triethylamine / ethanol / 1.5 h / 20 °C

6: 52 percent / gaseous NH₃ / methanol / 8 h / 100 °C

With sodium hydroxide; hydrogen sulfide; ammonia; iodine; sodium methylate; triethylamine; In methanol; ethanol; water;
DOI:10.1007/BF00506295

Reference yield:

: 82859-58-3
3-Cyano-4-mercaptopyrazolo<3,4-d>pyrimidine

: 55559-54-1
1-(β-D-Ribofuranosyl)-3-thiocarbamoyl-4-aminopyrazolo<3,4-d>pyrimidine

Guidance literature:: Multi-step reaction with 4 steps

1: 89 percent / 1M aq. NaOH / H₂O / 2 h / 20 °C

2: 61 percent / Iodine / 0.75 h / 165 °C / 10 - 15 Torr

3: 53 percent / H₂S, Triethylamine / ethanol / 1.5 h / 20 °C

4: 52 percent / gaseous NH₃ / methanol / 8 h / 100 °C

With sodium hydroxide; hydrogen sulfide; ammonia; iodine; triethylamine; In methanol; ethanol; water;
DOI:10.1007/BF00506295