Methyl 2,6-dichloro-4-pyrimidinecarboxylate

Basic Information

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CAS Number

6299-85-0

Molecular Formula

C6H4Cl2N2O2

Molecular Weight

207.02 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

Physical State

Pale-yellow to Yellow-brown Solid

Melting Point

55-58°C

Boiling Point

306 ºC

Density

1.503

Flash Point

139 ºC

Refractive Index

1.55

SMILES

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COC(=O)C1=CC(=NC(=N1)Cl)Cl

InChI

InChI=1S/C6H4Cl2N2O2/c1-12-5(11)3-2-4(7)10-6(8)9-3/h2H,1H3

InChIKey

DQNQNLWKAGZNIT-UHFFFAOYSA-N

LogP

1.5699999999999998

Topological Polar Surface Area

52.08 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

179

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

Methyl 2 pound not4-dichloropyrimidine-6-carboxylate
FT-0630275
NSC45044
AC-9318
6299-85-0
2,6-dichloro-pyrimidine-4-carboxylic acid methyl ester
DQNQNLWKAGZNIT-UHFFFAOYSA-N
methyl 2,6-dichloropyrimidine-4-carboxylate
NSC-45044
SCHEMBL112719
DTXSID70286359
Methyl 2,6-dichloro-4-pyrimidinecarboxylate, AldrichCPR
AM20100550
4-Pyrimidinecarboxylic acid, 2,6-dichloro-, methyl ester
Methyl 2,4-Dichloro-pyrimidine-6-carboxylate
Methyl 2,4-dichloropyrimidine-6-carboxylate
C6H4Cl2N2O2
2,6-dichloropyrimidine-4-carboxylic acid methyl ester
methyl 2,6-dichloro-4-pyrimidinecarboxylate
SB40729
2,6-DICHLORO-4-PYRIMIDINECARBOXYLICACID METHYL ESTER
2,6-dichloro-4-pyrimidine carboxylic acid methyl ester
CS-W004814
SY013414
Methyl2,6-Dichloropyrimidine-4-carboxylate
AKOS005146107
EN300-78498
Z1157726181
MFCD01941317
PS-4398
BCP10160

MDL Number

MFCD01941317

Customs Code

2933599090

FAQ

What are the physical and chemical properties of Methyl 2,6-dichloro-4-pyrimidinecarboxylate (CAS: 6299-85-0)?

Methyl 2,6-dichloro-4-pyrimidinecarboxylate (CAS: 6299-85-0) is a white crystalline solid with a molecular weight of 266.02 g/mol. It has low water solubility and is soluble in organic solvents like methanol and acetonitrile. It is moderately reactive, particularly with nucleophiles and reducing agents.

How is Methyl 2,6-dichloro-4-pyrimidinecarboxylate (CAS: 6299-85-0) typically synthesized?

Methyl 2,6-dichloro-4-pyrimidinecarboxylate (CAS: 6299-85-0) is typically synthesized via the condensation of methyl acetoacetate with 2,6-dichloropyrimidine, using a base like sodium hydroxide. The reaction is performed in an aprotic solvent such as dimethylformamide (DMF). The yield is around 70-80% with high selectivity.

What industries use Methyl 2,6-dichloro-4-pyrimidinecarboxylate (CAS: 6299-85-0)?

Methyl 2,6-dichloro-4-pyrimidinecarboxylate (CAS: 6299-85-0) is primarily used in the pharmaceutical industry for the synthesis of various pyrimidine-based drugs. It also has applications in the polymer industry for developing novel materials with specific properties. Additionally, it is utilized in the synthesis of analytical reagents and as a precursor in sensor development.

What precautions should be taken when handling Methyl 2,6-dichloro-4-pyrimidinecarboxylate (CAS: 6299-85-0)?

When handling Methyl 2,6-dichloro-4-pyrimidinecarboxylate (CAS: 6299-85-0), appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat should be worn. The material should be handled in a well-ventilated area or a fume hood. In the event of a spill, it should be carefully cleaned up with appropriate absorbent materials. Safety data sheets (SDS) should be consulted for detailed information on handling and disposal.