(1,2,5)Thiadiazolo(3,4-d)pyrimidine-5,7(4H,6H)-dione, 4-(2-hydroxyethyl)-

Base Information

• Chemical Name: (1,2,5)Thiadiazolo(3,4-d)pyrimidine-5,7(4H,6H)-dione, 4-(2-hydroxyethyl)-
• CAS No.: 62700-62-3
• Molecular Formula: C6H6N4O3S
• Molecular Weight: 214.2018
• DSSTox Substance ID: DTXSID90211784
• Wikidata: Q83086763
• ChEMBL ID: CHEMBL4940034

Synonyms:BRN 0529805;3-(beta-Hydroxyethyl)-8-thiaxanthin;(1,2,5)Thiadiazolo(3,4-d)pyrimidine-5,7(4H,6H)-dione, 4-(2-hydroxyethyl)-;62700-62-3;4-(2-Hydroxyethyl)-(1,2,5)thiadiazolo(3,4-d)pyrimidine-5,7(4H,6H)-dione;[1,2,5]Thiadiazolo[3,4-d]pyrimidine-5,7(4H,6H)-dione, 4-(2-hydroxyethyl)-;4-(2-hydroxyethyl)-[1,2,5]thiadiazolo[3,4-d]pyrimidine-5,7(4H,6H)-dione;Oprea1_005741;Oprea1_428186;CHEMBL4940034;DTXSID90211784;STK928336;3-(beta-hydroxyethyl)-8-thiaxanthine;AKOS000678462;AKOS005658410;LS-150340;EU-0066915;SR-01000390320;SR-01000390320-1;4-(2-hydroxyethyl)-4H,5H,6H,7H-[1,2,5]thiadiazolo[3,4-d]pyrimidine-5,7-dione;7-hydroxy-4-(2-hydroxyethyl)[1,2,5]thiadiazolo[3,4-d]pyrimidin-5(4H)-one

Chemical Property of (1,2,5)Thiadiazolo(3,4-d)pyrimidine-5,7(4H,6H)-dione, 4-(2-hydroxyethyl)-

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.681g/cm³
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 214.01606124
• Heavy Atom Count: 14
• Complexity: 274

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CO)N1C2=NSN=C2C(=O)NC1=O

Technology Process of (1,2,5)Thiadiazolo(3,4-d)pyrimidine-5,7(4H,6H)-dione, 4-(2-hydroxyethyl)-

There total 1 articles about (1,2,5)Thiadiazolo(3,4-d)pyrimidine-5,7(4H,6H)-dione, 4-(2-hydroxyethyl)- 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:

6-amino-1-β-hydroxyethyl-5-nitrosouracil (77178-36-0) → 3-(β-hydroxyethyl)-8-thiaxanthine (62700-62-3)

Guidance literature:

With sodium thiosulfate;

DOI:10.1007/BF00779086

Reference yield: 96.0%

3-(β-hydroxyethyl)-8-thiaxanthine (62700-62-3) → 3-(β-hydroxyethylamino)-1,2,5-thiadiazole-4-carboxylic acid (135086-65-6)

Guidance literature:

With sodium hydroxide; for 1h; Heating;

Reference yield: 56.0%

3-(β-hydroxyethyl)-8-thiaxanthine (62700-62-3) + p-toluenesulfonyl chloride (98-59-9) → 4-(β-tosylethyl)-1,2,5-thiadiazolo<3,4-d>pyrimidine-5,7(4H,6H)-dione (135086-62-3)

Guidance literature:

With pyridine; In tetrahydrofuran; Product distribution; Heating;

DOI:10.1007/BF00476763

upstream raw materials:

6-amino-1-β-hydroxyethyl-5-nitrosouracil

Downstream raw materials:

4-(β-tosylethyl)-1,2,5-thiadiazolo<3,4-d>pyrimidine-5,7(4H,6H)-dione

3-(β-hydroxyethylamino)-1,2,5-thiadiazole-4-carboxylic acid

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