Dimethyl 2-bromo-1H-imidazole-4,5-dicarboxylate

Basic Information

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CAS Number

705280-65-5

Molecular Formula

C7H7BrN2O4

Molecular Weight

263.05 g/mol

Basic Physical Properties

Physical State

White to Yellow Solid

Density

1.719

SMILES

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COC(=O)C1=C(N=C(N1)Br)C(=O)OC

InChI

InChI=1S/C7H7BrN2O4/c1-13-5(11)3-4(6(12)14-2)10-7(8)9-3/h1-2H3,(H,9,10)

InChIKey

JMXUWJPKHDKROF-UHFFFAOYSA-N

LogP

0.7454000000000001

Topological Polar Surface Area

81.28 Å²

Hydrogen Bond Donor/Acceptor

1 / 6

Complexity

248

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

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

Synonyms & References

English

1H-Imidazole-4,5-dicarboxylic acid, 2-bromo-, 4,5-dimethyl ester
C7H7BrN2O4
1H-Imidazole-4,5-dicarboxylic acid, 2-bromo-, dimethyl ester
Dimethyl2-bromo-1H-imidazole-4,5-dicarboxylate
dimethyl 2-bromo-imidazole-4,5-dicarboxylate
JMXUWJPKHDKROF-UHFFFAOYSA-N
4,5-dimethyl 2-bromo-1H-imidazole-4,5-dicarboxylate
Dimethyl 2-bromo-1H-imidazole-4,5-dicarboxylate
EN300-7387605
J-520358
FT-0630252
705280-65-5
SY123059
MFCD09702026
2-Bromo-1H-imidazole-4,5-dicarboxylic acid dimethyl ester
AKOS015835022
2-bromo-1h-imidazole-4,5-dicarboxylic acid 4,5-dimethyl ester
SCHEMBL2517694
AC-23306
CS-0158814
DTXSID40620584
1h-imidazole-4,5-dicarboxylic acid,2-bromo-,4,5-dimethyl ester
AS-37583
2-bromo-1H-Imidazole-4,5-dicarboxylic acid 4,5-dimethyl ester
DIETHYL 2-BROMO-1H-IMIDAZOLE-4,5-DICARBOXYLATE

MDL Number

MFCD09702026

Customs Code

2933290090

FAQ

What are the physical and chemical properties of Dimethyl 2-bromo-1H-imidazole-4,5-dicarboxylate (CAS: 705280-65-5)?

Dimethyl 2-bromo-1H-imidazole-4,5-dicarboxylate (CAS: 705280-65-5) is a white crystalline solid with a molecular weight of approximately 304.11 g/mol. It has a low solubility in water but is more soluble in organic solvents. Chemically, it is reactive towards nucleophiles and can undergo bromination reactions. It also shows basic properties due to the imidazole ring.

How is Dimethyl 2-bromo-1H-imidazole-4,5-dicarboxylate (CAS: 705280-65-5) typically synthesized?

Dimethyl 2-bromo-1H-imidazole-4,5-dicarboxylate (CAS: 705280-65-5) is typically synthesized via the bromination of 1,3-dimethyl-2-oxo-2,3-dihydro-1H-imidazole followed by esterification with dimethyl carbonate. The reaction uses a catalytic amount of base and can proceed at room temperature with high selectivity and yield.

What industries use Dimethyl 2-bromo-1H-imidazole-4,5-dicarboxylate (CAS: 705280-65-5)?

Dimethyl 2-bromo-1H-imidazole-4,5-dicarboxylate (CAS: 705280-65-5) is used in pharmaceuticals for the synthesis of various drugs, as well as in polymer science for the modification of polymers. It also has applications in sensor technology and semiconductor manufacturing due to its reactivity and functional groups.

What precautions should be taken when handling Dimethyl 2-bromo-1H-imidazole-4,5-dicarboxylate (CAS: 705280-65-5)?

When handling Dimethyl 2-bromo-1H-imidazole-4,5-dicarboxylate (CAS: 705280-65-5), wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or fume hood to avoid inhalation of vapors. Store in a cool, dry place away from direct sunlight and flammable materials. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information.