Ethyl 4-hydroxy-5-pyrimidinecarboxylate

Basic Information

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CAS Number

4786-52-1

Molecular Formula

C7H8N2O3

Molecular Weight

168.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Physical State

Pale-yellow to Yellow-brown Solid

Boiling Point

270.6°C at 760 mmHg

Flash Point

117.4℃

SMILES

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CCOC(=O)C1=CN=CNC1=O

InChI

InChI=1S/C7H8N2O3/c1-2-12-7(11)5-3-8-4-9-6(5)10/h3-4H,2H2,1H3,(H,8,9,10)

InChIKey

PLMIZYMXBHSARX-UHFFFAOYSA-N

LogP

0.35889999999999994

Topological Polar Surface Area

72.31 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

268

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

HMS3085B03
SCHEMBL798009
6-Oxo-1,6-dihydro-pyrimidine-5-carboxylic acid ethyl ester
DS-0307
Ethyl 4-hydroxy-5-pyrimidinecarboxylate
F1967-1633
ethyl6-oxo-1,6-dihydropyrimidine-5-carboxylate
NSC 69216
AB05293
A7307
EN300-97373
GS-5818
AKOS005167108
MFCD00194922
Ethyl 6-oxo-1,6-dihydro-pyrimidine-5-carboxylate
ethyl pyrimidin-6(1h)-one-5-carboxylate
NSC69216
FT-0648591
ethyl 6-oxo-1,6-dihydro-5-pyrimidinecarboxylate
ethyl 6-oxo-1,6-dihydropyrimidine-5-carboxylate
H-Ala-?-Ala-OH
AKOS015830884
Pyrimidine, 4-hydroxy-5-carboethoxy-
4786-52-1
6-Oxo-1,6-dihydro-pyrimidine-5-carboxylic acid ethyl ester
ethyl 4-hydroxypyrimidine-5-carboxylate
ethyl 4-hydroxypyrimidine 5-car-boxylate
SY012807
71133-20-5
Ethyl 4-hydroxy-pyrimidine-5-carboxylate
ethyl 6-oxo-1H-pyrimidine-5-carboxylate

MDL Number

MFCD00194922

Customs Code

2933599090

FAQ

What regulatory guidelines apply to Ethyl 4-hydroxy-5-pyrimidinecarboxylate (CAS: 4786-52-1)?

Ethyl 4-hydroxy-5-pyrimidinecarboxylate (CAS: 4786-52-1) falls under various regulatory guidelines. It must comply with the Globally Harmonized System of Classification and Labeling of Chemicals (GHS) for hazards communication. In Europe, it is subject to the Registration, Evaluation, Authorization and Restriction of Chemicals (REACH) regulation. For pharmaceutical applications, it must adhere to FDA and EPA guidelines. Detailed safety data sheets (SDS) are essential for handling and storage.

Are there alternatives to Ethyl 4-hydroxy-5-pyrimidinecarboxylate (CAS: 4786-52-1) in synthesis?

Ethyl 4-hydroxy-5-pyrimidinecarboxylate (CAS: 4786-52-1) has several alternatives in synthesis. Common analogs include ethyl 5-hydroxypyrimidine-2-carboxylate and ethyl 4-hydroxypyrimidine-2-carboxylate. Other substitute solutions involve using different starting materials or reactions such as esterification of pyrimidine carboxylic acids with ethylene glycol.

What is the market or research trend for Ethyl 4-hydroxy-5-pyrimidinecarboxylate (CAS: 4786-52-1)?

The market for Ethyl 4-hydroxy-5-pyrimidinecarboxylate (CAS: 4786-52-1) is growing due to its applications in pharmaceuticals and agrochemicals. Research trends focus on its use in drug development and as a precursor in organic synthesis. Price trends are influenced by demand and supply dynamics. Emerging research is exploring its potential in new drug discovery and customized synthesis techniques.

How should waste containing Ethyl 4-hydroxy-5-pyrimidinecarboxylate (CAS: 4786-52-1) be handled?

Waste containing Ethyl 4-hydroxy-5-pyrimidinecarboxylate (CAS: 4786-52-1) should be collected in appropriate containers and disposed of through a professional waste disposal service. Incineration is a common method, but ensure it meets environmental regulations. Precautions include proper containment to prevent spills and adherence to local and international waste management laws.