2-Chloro-4-hydroxypyrimidine

Base Information

• Chemical Name: 2-Chloro-4-hydroxypyrimidine
• CAS No.: 55873-09-1
• Molecular Formula: C₄H₃ClN₂O
• Molecular Weight: 130.534
• Hs Code.: 2933599090
• UNII: 94XAS724K9
• DSSTox Substance ID: DTXSID20546511
• Wikidata: Q82424370
• Mol file: 55873-09-1.mol

Synonyms:55873-09-1;2-Chloropyrimidin-4-ol;2-CHLORO-4-HYDROXYPYRIMIDINE;2-chloro-1H-pyrimidin-6-one;2-Chloropyrimidin-4(3H)-one;2-Chloro-4(1H)-pyrimidinone;2-Chloro-4(3H)-pyrimidinone;MFCD09038284;Chlor- 6-Oxypyrimidin;SCHEMBL83773;4(3H)-Pyrimidinone,2-chloro-;DTXSID20546511;4(1H)-Pyrimidinone, 2-chloro-;94XAS724K9;2-CHLORO-3H-PYRIMIDIN-4-ONE;4(1H)-Pyrimidinone,2-chloro-(9ci);AKOS011623097;CS-W019681;SB57680;AC-25590;DS-14487;SY019878;SY353300;EN300-1256682

Chemical Property of 2-Chloro-4-hydroxypyrimidine

Chemical Property:

• Vapor Pressure: 0.000101mmHg at 25°C
• Refractive Index: 1.632
• Boiling Point: 328.1 °C at 760 mmHg
• PKA: 6.37±0.40(Predicted)
• Flash Point: 152.3 °C
• PSA: 46.01000
• Density: 1.55 g/cm³
• LogP: 0.83560
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 129.9933904
• Heavy Atom Count: 8
• Complexity: 173

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Chloropyrimidin-4-ol 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=C(NC1=O)Cl
• Uses: 2-Chloro-4-hydroxypyrimidine is used in preparation of pyrazole derivatives as antitumor drugs.

Technology Process of 2-Chloro-4-hydroxypyrimidine

There total 2 articles about 2-Chloro-4-hydroxypyrimidine 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: 25.0%

2-chloro-4-(4-nitro-phenoxy)-pyrimidine → 2-chloro-4-hydroxypyrimidine (55873-09-1) + 4-(4-nitro-phenoxy)-pyrimidin-2-ylamine (853298-46-1)

Guidance literature:

With ammonium hydroxide;

DOI:10.1021/op800136f

Reference yield:

→ 2-chloro-4-hydroxypyrimidine (55873-09-1)

Guidance literature:

Refernces

• 1、 -. "Method for producing an optically active 1-substituted 2-propanol". . . Retrieved 2008/06/13.