2-Mercapto-6-(methoxymethyl)pyrimidin-4-ol

Base Information

• Chemical Name: 2-Mercapto-6-(methoxymethyl)pyrimidin-4-ol
• CAS No.: 175205-07-9
• Molecular Formula: C₆H₈N₂O₂S
• Molecular Weight: 172.208
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID10351611
• Nikkaji Number: J1.197.791J
• Wikidata: Q82128156
• ChEMBL ID: CHEMBL1331954
• Mol file: 175205-07-9.mol

Synonyms:175205-07-9;2-mercapto-6-(methoxymethyl)pyrimidin-4-ol;4-Hydroxy-6-methoxymethylpyrimidine-2-thiol;6-(methoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one;6-(methoxymethyl)-2-sulfanylpyrimidin-4-ol;6-(methoxymethyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one;MLS000587792;SMR000211746;2-Mercapto-6-methoxymethyl-pyrimidin-4-ol;6-(Methoxymethyl)-2-sulfanyl-4-pyrimidinol;6-Methoxymethyl-2-thiouracil;methoxymethylsulfanylpyrimidinol;Maybridge1_006870;cid_704896;CHEMBL1331954;SCHEMBL23306692;BDBM87856;HMS561A06;DTXSID10351611;4(1H)-Pyrimidinone,2,3-dihydro-6-(methoxymethyl)-2-thioxo-;HMS2514G19;HMS3378O03;CCG-52052;MFCD00052620;STK129924;AKOS002682446;AKOS026714460;3M-544S;6-Methoxymethyl-2-thiouracil, AldrichCPR;CS-0078672;FT-0612751;D73955;6-(methoxymethyl)-2-thioxo-1H-pyrimidin-4-one;EN300-6734950;A811928;J-509774;SR-01000641308-1;Z57121999;F1967-3712;6-(Methoxymethyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one

Chemical Property of 2-Mercapto-6-(methoxymethyl)pyrimidin-4-ol

Chemical Property:

• Vapor Pressure: 1.25E-05mmHg at 25°C
• Melting Point: 230-232oC
• Boiling Point: 358.2°C at 760 mmHg
• PKA: 7.23±0.20(Predicted)
• Flash Point: 170.5°C
• PSA: 94.04000
• Density: 1.35g/cm³
• LogP: 0.61730
• Storage Temp.: 2-8°C
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 172.03064868
• Heavy Atom Count: 11
• Complexity: 225

Purity/Quality:

97% ^*data from raw suppliers

2-mercapto-6-(methoxymethyl)pyrimidin-4-ol ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COCC1=CC(=O)NC(=S)N1
• Uses: 6-Methoxymethyl-2-thiouracil is used as a pharmaceutical intermediate.

Technology Process of 2-Mercapto-6-(methoxymethyl)pyrimidin-4-ol

There total 1 articles about 2-Mercapto-6-(methoxymethyl)pyrimidin-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:

ethyl 4-methoxy-3-oxobutanoate (66762-68-3) + thiourea (17356-08-0) → 6-methoxymethyl-2-thiouracil (175205-07-9)

Guidance literature:

With sodium ethanolate;

DOI:10.1021/ja01182a020

upstream raw materials:

ethyl 4-methoxy-3-oxobutanoate

thiourea