1H-Pyrazolo(3,4-d)pyrimidine-3-carbothioamide, 4-amino-1-((2-hydroxyethoxy)methyl)-

Base Information

Chemical Name:1H-Pyrazolo(3,4-d)pyrimidine-3-carbothioamide, 4-amino-1-((2-hydroxyethoxy)methyl)-
CAS No.:122949-66-0
Molecular Formula:C₉H₁₂N₆O₂S
Molecular Weight:268.299
Hs Code.:
DSSTox Substance ID:DTXSID40153807
Nikkaji Number:J325.486K
ChEMBL ID:CHEMBL304711
Mol file:122949-66-0.mol

Synonyms:122949-66-0;1H-Pyrazolo(3,4-d)pyrimidine-3-carbothioamide, 4-amino-1-((2-hydroxyethoxy)methyl)-;4-amino-1-[(2-hydroxyethoxy)methyl]-1H-pyrazolo[3,4-d]pyrimidine-3-carbothioamide;1H-Pyrazolo[3,4-d]pyrimidine-3-carbothioamide, 4-amino-1-[(2-hydroxyethoxy)methyl]-;4-amino-1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carbothioamide;CHEMBL304711;DTXSID40153807;ZINC01888953;4-Amino-1-(2-hydroxyethoxymethyl)-1H-pyrazolo[3,4-d]pyrimidine-3-carbothioamide

Suppliers and Price of 1H-Pyrazolo(3,4-d)pyrimidine-3-carbothioamide, 4-amino-1-((2-hydroxyethoxy)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 0 raw suppliers

Chemical Property of 1H-Pyrazolo(3,4-d)pyrimidine-3-carbothioamide, 4-amino-1-((2-hydroxyethoxy)methyl)-

Chemical Property:

Vapor Pressure:1.77E-14mmHg at 25°C
Boiling Point:584°Cat760mmHg
Flash Point:307°C
Density:1.77g/cm³
XLogP3:-1.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:268.07424482
Heavy Atom Count:18
Complexity:307

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=NC(=C2C(=NN(C2=N1)COCCO)C(=S)N)N

Technology Process of 1H-Pyrazolo(3,4-d)pyrimidine-3-carbothioamide, 4-amino-1-((2-hydroxyethoxy)methyl)-

There total 5 articles about 1H-Pyrazolo(3,4-d)pyrimidine-3-carbothioamide, 4-amino-1-((2-hydroxyethoxy)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: 23.0%

: 124-41-4
sodium methylate

: 122949-65-9
methyl 4-amino-1-<(2-hydroxyethoxy)methyl>pyrazolo<3,4-d>pyrimidine-3-formimidate

: 122949-66-0
4-amino-1-<(2-hydroxyethoxy)methyl>pyrazolo<3,4-d>pyrimidine-3-thiocarboxamide

Guidance literature:: With hydrogen sulfide; sodium methylate; In methanol; 1.) RT, 2.3 h, 2.) 5 deg C, 18 h;
DOI:10.1021/jm00169a027

Reference yield:

: 6826-96-6
4-amino-3-cyano-pyrazolo<3,4-d>pyrimidine

: 122949-66-0
4-amino-1-<(2-hydroxyethoxy)methyl>pyrazolo<3,4-d>pyrimidine-3-thiocarboxamide

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) NaH / 1.) DMF, 78 deg C, 2.) 78 deg C, 4 h

2: 37 percent / methanol / 1 h / Ambient temperature

3: 23 percent / H₂S gas, NaOCH₃ / methanol / 1.) RT, 2.3 h, 2.) 5 deg C, 18 h

With hydrogen sulfide; sodium methylate; sodium hydride; In methanol;
DOI:10.1021/jm00169a027

Reference yield:

: 55559-48-3
4-acetamido-3-cyanopyrazolo<3,4-d>pyrimidine

: 122949-66-0
4-amino-1-<(2-hydroxyethoxy)methyl>pyrazolo<3,4-d>pyrimidine-3-thiocarboxamide

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) NaH / 1.) DMF, 2.) 75 deg C, 2 h

2: 0.05 g / methanol / 1.5 h / Ambient temperature

3: 23 percent / H₂S gas, NaOCH₃ / methanol / 1.) RT, 2.3 h, 2.) 5 deg C, 18 h

With hydrogen sulfide; sodium methylate; sodium hydride; In methanol;
DOI:10.1021/jm00169a027