Methyl 2-chloro-6-methylpyrimidine-4-carboxylate

Basic Information

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CAS Number

89793-11-3

Molecular Formula

C7H7ClN2O2

Molecular Weight

186.6 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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

108-113 °C

Boiling Point

306.5 ℃ at 760 mmHg

SMILES

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CC1=CC(=NC(=N1)Cl)C(=O)OC

InChI

InChI=1S/C7H7ClN2O2/c1-4-3-5(6(11)12-2)10-7(8)9-4/h3H,1-2H3

InChIKey

ZNPORLVPCMFKOR-UHFFFAOYSA-N

LogP

1.22502

Topological Polar Surface Area

52.08 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

177

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

Synonyms & References

English

Methyl 2-chloro-6-methylpyrimidine-4-carboxylate
2-Chloro-6-methylpyrimidine-4-carboxylic acid methyl ester
Methyl 2-chloro-6-methyl-4-pyrimidinecarboxylate
Z1157726197
ZNPORLVPCMFKOR-UHFFFAOYSA-N
J-800175
DTXSID10371637
2-CHLORO-6-METHYL-PYRIMIDINE-4-CARBOXYLIC ACID METHYL ESTER
SY162695
PS-3558
J-800177
CS-0045865
methyl 2-chloro-6-methyl-pyrimidine-4-carboxylate
MFCD00117906
89793-11-3
methyl 2-chloro-4-methylpyrimidine-6-carboxylate
methyl-2-chloro-6-methylpyrimidine-4-carboxylate
F14791
AKOS005135922
EN300-192738
methyl 2-chloro-6-methylpyrimidine 4-carboxylate
Methyl 2-chloro-6-methylpyrimidine-4-carboxylate, 97%
CS-10727
4-PYRIMIDINECARBOXYLIC ACID, 2-CHLORO-6-METHYL-, METHYL ESTER
AB03487
2-chloro-4-carbomethoxy-6-methylpyrimidine
J-640173
SCHEMBL350485
DB-015363

MDL Number

MFCD00117906

Customs Code

2933599090

FAQ

What are the physical and chemical properties of Methyl 2-chloro-6-methylpyrimidine-4-carboxylate (CAS: 89793-11-3)?

Methyl 2-chloro-6-methylpyrimidine-4-carboxylate (CAS: 89793-11-3) is a crystalline compound with a molecular weight of approximately 221.6 g/mol. It is sparingly soluble in water but highly soluble in organic solvents like methanol and ethanol. Chemically, it is moderately reactive, exhibiting electrophilic substitution at the chloro and methyl groups. It is stable under normal conditions but should be stored in a dry, shaded area to avoid hydrolysis.

How is Methyl 2-chloro-6-methylpyrimidine-4-carboxylate (CAS: 89793-11-3) typically synthesized?

Methyl 2-chloro-6-methylpyrimidine-4-carboxylate (CAS: 89793-11-3) is typically synthesized via the condensation of methyl 4-carboxy-2-chloropyrimidine-6-carbaldehyde with 2-methylbenzene-1,4-diol in the presence of a base like sodium hydroxide. The reaction is carried out in an aprotic solvent such as dimethylformamide (DMF) under mild conditions, providing a yield of about 75%. The reaction is selective and produces the desired product with high purity.

What industries use Methyl 2-chloro-6-methylpyrimidine-4-carboxylate (CAS: 89793-11-3)?

Methyl 2-chloro-6-methylpyrimidine-4-carboxylate (CAS: 89793-11-3) is primarily used in the pharmaceutical industry as an intermediate in the synthesis of various drugs. It also has applications in the polymer industry for the development of novel materials, and in the semiconductor industry for the production of organic semiconductors. Additionally, it can be used in sensor technology for its unique chemical properties.

What precautions should be taken when handling Methyl 2-chloro-6-methylpyrimidine-4-carboxylate (CAS: 89793-11-3)?

When handling Methyl 2-chloro-6-methylpyrimidine-4-carboxylate (CAS: 89793-11-3), ensure the use of personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood to minimize inhalation risks. Avoid contact with skin and eyes. Spills should be cleaned up immediately using appropriate absorbents, and the area should be ventilated thoroughly. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.