Methyl 4-pyrimidinecarboxylate

Basic Information

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CAS Number

2450-08-0

Molecular Formula

C6H6N2O2

Molecular Weight

138.13 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

Melting Point

63-68 ºC

Boiling Point

224 ºC

Flash Point

89 ºC

Refractive Index

1.513

SMILES

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COC(=O)C1=NC=NC=C1

InChI

InChI=1S/C6H6N2O2/c1-10-6(9)5-2-3-7-4-8-5/h2-4H,1H3

InChIKey

GXZQHMHLHHUHAM-UHFFFAOYSA-N

LogP

0.2631999999999999

Topological Polar Surface Area

52.08 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

127

Synonyms & References

English

6-carbomethoxypyrimidine
Pyrimidine-4-carboxylic acid methyl ester
2450-08-0
AM20090275
Methyl 4-pyrimdine carboxylate
methylpyrimidine-4-carboxylate
BANDROWSKISBASE
4-methoxycarbonylpyrimidine
MFCD00234184
CS-0036314
AKOS005254751
BL000368
methyl-4-pyrimidinecarboxylate
SY019964
Q-102062
InChI=1/C6H6N2O2/c1-10-6(9)5-2-3-7-4-8-5/h2-4H,1H
methyl4-pyrimidinylcarboxylate
4-Pyrimidinecarboxylic acid methyl ester
SCHEMBL249470
NSC-78314
FT-0603724
PB15680
methyl pyrimidine-4-carboxylate
A5040
4-PYRIMIDINECARBOXYLIC ACID, METHYL ESTER
GXZQHMHLHHUHAM-UHFFFAOYSA-N
pyrimidine-4-carboxylic acid, methyl ester
BCP26472
methyl 4-Pyrimidine Carboxylate
9N-070
DTXSID90291809

MDL Number

MFCD00234184

Customs Code

2933599090

FAQ

What regulatory guidelines apply to Methyl 4-pyrimidinecarboxylate (CAS: 2450-08-0)?

Methyl 4-pyrimidinecarboxylate (CAS: 2450-08-0) should comply with various regulatory guidelines. Globally Harmonized System (GHS) classifies it under specific categories based on its physical and chemical properties. In Europe, it falls under the Registration, Evaluation, Authorization, and Restriction of Chemicals (REACH) regulation. In the United States, it may need approval from the U.S. Environmental Protection Agency (EPA) and the Food and Drug Administration (FDA) depending on its intended use.

Are there alternatives to Methyl 4-pyrimidinecarboxylate (CAS: 2450-08-0) in synthesis?

Several alternatives to Methyl 4-pyrimidinecarboxylate (CAS: 2450-08-0) exist in synthesis. Common alternatives include methyl 5-pyrimidinecarboxylate and methyl 2-pyrimidinecarboxylate. These analogs and isomers can be used depending on the specific reaction conditions and desired product characteristics. Other substitute reagents might include acetic anhydride or acetyl chloride, which can serve similar functional group transformations.

What is the market or research trend for Methyl 4-pyrimidinecarboxylate (CAS: 2450-08-0)?

The market for Methyl 4-pyrimidinecarboxylate (CAS: 2450-08-0) is growing due to its application in pharmaceuticals, agrochemicals, and materials science. Recent research trends focus on its use as a precursor in the synthesis of bioactive molecules and as an intermediate in the production of herbicides. Market dynamics show increasing demand from developing countries due to advancements in pharmaceutical and agricultural industries.

How should waste containing Methyl 4-pyrimidinecarboxylate (CAS: 2450-08-0) be handled?

Waste containing Methyl 4-pyrimidinecarboxylate (CAS: 2450-08-0) should be handled with care to ensure environmental safety and compliance. Collection should be done in appropriate containers to prevent spillage and contamination. Incineration is a common method, but professional waste disposal services are recommended for larger volumes. Environmental protection precautions include proper labeling, use of protective equipment, and adherence to local and national regulations. Disposal should be done in accordance with the Globally Harmonized System (GHS) and relevant environmental laws.