4,5,6-Triaminopyrimidine sulfate

Base Information

• Chemical Name: 4,5,6-Triaminopyrimidine sulfate
• CAS No.: 49721-45-1
• Molecular Formula: C4H9N5O4S
• Molecular Weight: 223.213
• Hs Code.: 29335990
• European Community (EC) Number: 256-446-3,272-116-1
• NSC Number: 49184
• UNII: X2785VA26W
• DSSTox Substance ID: DTXSID90885904
• Mol file: 49721-45-1.mol

Synonyms:4,5,6-pyrimidinetriamine;4,5,6-triaminopyrimidine;4,5,6-triaminopyrimidine sulfate;4,5,6-triaminopyrimidine sulfate (1:1);4,5,6-triaminopyrimidine sulfate (1:1), monohydrate;4,5,6-triaminopyrimidine sulfate (2:1)

Chemical Property of 4,5,6-Triaminopyrimidine sulfate

Chemical Property:

• Vapor Pressure: 4.71E-17mmHg at 25°C
• Melting Point: >300 °C(lit.)
• Boiling Point: 406.2ºC at 760mmHg
• Flash Point: 228.5ºC
• PSA: 186.82000
• Density: 1.512g/cm3
• LogP: 1.39480
• Storage Temp.: Sealed in dry,Room Temperature
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 0
• Exact Mass: 223.03752496
• Heavy Atom Count: 14
• Complexity: 166

Purity/Quality:

99% ^*data from raw suppliers

4,5,6-Triaminopyrimidine sulfate 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

Useful:

• Canonical SMILES: C1=NC(=C(C(=N1)N)N)N.OS(=O)(=O)O

Technology Process of 4,5,6-Triaminopyrimidine sulfate

There total 1 articles about 4,5,6-Triaminopyrimidine sulfate 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:

4,6-diamino-5-nitrosylpyrimidine (61908-15-4) → 4,5,6-triaminopyrimidine sulfate (49721-45-1)

Guidance literature:

With sodium dithionite; sulfuric acid; In water; at 20 - 80 ℃;

DOI:10.1016/j.bmcl.2016.01.081

Reference yield: 100.0%

carbon disulfide (75-15-0,12122-00-8) + 4,5,6-triaminopyrimidine sulfate (49721-45-1) → 8-mercaptoadenine (7390-62-7)

Guidance literature:

With water; sodium hydrogencarbonate; In ethanol; for 72h; Reflux; Inert atmosphere;

DOI:10.1002/jlcr.1689

Reference yield: 99.0%

4,5,6-triaminopyrimidine sulfate (49721-45-1) → 4,5,6-triaminopyrimidine (118-70-7)

Guidance literature:

4,5,6-triaminopyrimidine sulfate; With sodium hydroxide; water; at 80 ℃;

With hydrogenchloride; water; at 0 - 5 ℃; pH=7.0;

upstream raw materials:

4,6-diamino-5-nitrosylpyrimidine

Downstream raw materials:

N-(4,6-diaminopyrimidin-5-yl)formamide

7H-purin-6-ylamine

4-Amino-6,7-bis(2-furyl)pteridin

8-methyl-9H-purin-6-ylamine

Refernces