2-Hydroxypyrimidine hydrochloride

Base Information

• Chemical Name: 2-Hydroxypyrimidine hydrochloride
• CAS No.: 38353-09-2
• Deprecated CAS: 1450-92-6,53412-83-2,2607106-64-7,53412-83-2
• Molecular Formula: C4H4N2O^.HCl
• Molecular Weight: 132.549
• Hs Code.: 29335995
• European Community (EC) Number: 253-897-8
• NSC Number: 56052
• DSSTox Substance ID: DTXSID3068091
• Mol file: 38353-09-2.mol

Synonyms:2-Hydroxypyrimidine hydrochloride;38353-09-2;pyrimidin-2-ol hydrochloride;Pyrimidin-2(1H)-one hydrochloride;1450-92-6;2(1H)-Pyrimidinone, monohydrochloride;2-Pyrimidinone hydrochloride;2-Pyrimidinol hydrochloride;MFCD00012781;Pyrimidin-2(1h)-one hcl;2-Pyrimidinol, hydrochloride;Pyrimidine-2-ol hydrochloride;1,2-dihydropyrimidin-2-one hydrochloride;Pyrimidin-2-one monohydrochloride;1H-pyrimidin-2-one;hydrochloride;Pyrimidin-2-one hydrochloride;EINECS 253-897-8;NSC 56052;AI3-60177;2(1H)-Pyrimidinone, hydrochloride (1:1);2-Hydroxypyrimidinehydrochloride;2-Pyrimidinol HCl;2-Hydroxypyrimidine, HCl;C4H4N2O.ClH;pyrimidin-2-olhydrochloride;SCHEMBL865815;C4-H4-N2-O.Cl-H;DTXSID3068091;2(1H)-Pyrimidinone hydrochloride;2-Hydroxy pyrimidine hydrochloride;2-Hydroxypyrimidine hydrogenchloride;BCP01070;NSC56052;MFCD02091094;NSC-56052;AKOS005258804;AKOS009124047;AC-1418;CS-W002079;PS-9134;SB57724;2-Hydroxypyrimidine hydrochloride, 98%;SY013551;A6503;AM20100022;FT-0612636;H0480;EN300-34914;W-106489;F1919-6813;Pyrimidin-2-ol;2-HYDROXYPYRIMIDINE HCL;Z1201023052

Chemical Property of 2-Hydroxypyrimidine hydrochloride

Chemical Property:

• Appearance/Colour: light yellow to beige crystalline solid
• Vapor Pressure: 0.0889mmHg at 25°C
• Melting Point: 200-205 °C (dec.)(lit.)
• Boiling Point: 221.2 °C at 760 mmHg
• Flash Point: 87.6 °C
• PSA: 46.01000
• Density: 1.28 g/cm³
• LogP: 0.98420
• Storage Temp.: Store below +30°C.
• Sensitive.: Hygroscopic
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Water Solubility.: almost transparency
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 132.0090405
• Heavy Atom Count: 8
• Complexity: 137

Purity/Quality:

99.9% ^*data from raw suppliers

2-Hydroxypyrimidine hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 36/37/38-40
• Safety Statements: 22-24/25-36-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Pyrimidines
• Canonical SMILES: C1=CNC(=O)N=C1.Cl
• Uses: 2-Hydroxypyrimidine Hydrochloride, is used as a reagent in the synthesis of BI 207524, an indole diamide NS5B thumb pocket 1 inhibitor with improved potency for potential treatment of chronic hepatitis C virus infection.

Technology Process of 2-Hydroxypyrimidine hydrochloride

There total 4 articles about 2-Hydroxypyrimidine hydrochloride 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: 73.0%

malonaldehydebis(dimethylacetal) (102-52-3) + urea (57-13-6) → 2-hydroxypyrimidine hydrochloride (38353-09-2)

Guidance literature:

With hydrogenchloride; In water; isopropyl alcohol; at 0 - 60 ℃; for 6h;

DOI:10.1021/op060241c

Reference yield: 71.0%

malonaldehydebis(dimethylacetal) (102-52-3) + urea (57-13-6) → 2-pyrimidinone hydrochloride (38353-09-2,1450-92-6)

Guidance literature:

DOI:10.1055/s-2006-958941

Reference yield:

→ 2-hydroxypyrimidine hydrochloride (38353-09-2)

Guidance literature:

upstream raw materials:

malonaldehydebis(dimethylacetal)

urea

2-(ethylsulfanyl)pyrimidine

Downstream raw materials:

2-trimethylsilyloxypyrimidine

5-bromopyrimidin-2-ol

uracil

2,5-dichloropyrimidine