2-Mercaptopteridin-4-ol

Base Information

• Chemical Name: 2-Mercaptopteridin-4-ol
• CAS No.: 52023-48-0
• Molecular Formula: C6H4 N4 O S
• Molecular Weight: 180.19
• Hs Code.: 2933990090
• European Community (EC) Number: 257-612-8
• NSC Number: 45766
• DSSTox Substance ID: DTXSID50199993
• Nikkaji Number: J335B
• ChEMBL ID: CHEMBL1899638
• Mol file: 52023-48-0.mol

Synonyms:2-Mercaptopteridin-4-ol;52023-48-0;2-sulfanylidene-1H-pteridin-4-one;4-HYDROXY-2-MERCAPTOPTERIDINE;2-thioxo-2,3-dihydropteridin-4(1H)-one;MLS002608734;EINECS 257-612-8;2-sulfanylpteridin-4-ol;NSC45766;4(1H)-Pteridinone, 2,3-dihydro-2-thioxo-;2-Sulfanyl-4-pteridinol #;2-sulfanyl-3H-pteridin-4-one;SCHEMBL5441685;SCHEMBL9679869;4-Hydroxy-2-mercapto pteridine;CHEMBL1899638;DTXSID50199993;2-thioxo-4-oxo-1h,3h-pteridine;HMS3078D13;NSC 45766;NSC-45766;STK530900;AKOS005463658;SMR001527478;CS-0100725;FT-0640041;2-sulfanylidene-1,2,3,4-tetrahydropteridin-4-one;Z3300501458

Chemical Property of 2-Mercaptopteridin-4-ol

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 110.59000
• Density: 1.67g/cm³
• LogP: 0.41410
• Storage Temp.: 2-8°C
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 180.01058194
• Heavy Atom Count: 12
• Complexity: 232

Purity/Quality:

NLT 98% ^*data from raw suppliers

4,4''-DipyridylDimethiodide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=C2C(=N1)C(=O)NC(=S)N2

Technology Process of 2-Mercaptopteridin-4-ol

There total 6 articles about 2-Mercaptopteridin-4-ol 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: 90.4%

Glyoxal (131543-46-9,107-22-2) + 4,5-diamino-6-hydroxy-2-thiopyrimidine (1004-76-8) → 2-mercaptopteridin-4-one (52023-48-0)

Guidance literature:

With sodium acetate; In neat (no solvent); at 80 ℃; for 0.366667h; Reagent/catalyst; Microwave irradiation;

DOI:10.1111/cbdd.12207

Reference yield: 56.0%

ethylenedioxide (4363-38-6) + 4,5-diamino-6-hydroxy-2-mercaptopyrimidine hemisulfate → 4-oxo-2-thioxo-1,2,3,4-tetrahydropteridine (52023-48-0)

Guidance literature:

With acetic acid; In ethanol; for 16h; Reflux;

DOI:10.1002/ejic.201200147

Reference yield: 48.0%

N-ethoxycarbonyl-N'-(3-benzyloxycarbonylpyrazinyl-2)-thiourea (112342-67-3) → 4-oxo-2-thioxo-1,2,3,4-tetrahydropteridine (52023-48-0)

Guidance literature:

With sodium ethanolate; In ethanol; for 0.5h; Heating;

upstream raw materials:

N-ethoxycarbonyl-N'-(3-benzyloxycarbonylpyrazinyl-2)-thiourea

benzyl 3-aminopyrazine-2-carboxylate

ethylenedioxide

Glyoxal

Downstream raw materials:

2-(ethylthio)-4-oxopteridine

[Au(P(C₆H₁₁)3)(C₄H₂N₂C₂HN₂OS)]

3,4-dihydro-2H,6H-[1,3]thiazino[2,3-b]pteridin-6-one

2,3-dihydro-5H-thiazolo[2,3-b]pteridin-5-one

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