Methyl 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-4-methylbenzoate - methyl 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-5-methylbenzoate (1:1)

Basic Information

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CAS Number

81405-85-8

Molecular Formula

C32H40N4O6

Molecular Weight

576.69 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

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

133℃

Flash Point

93 °C

SMILES

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CC1=CC(=C(C=C1)C(=O)OC)C2=NC(C(=O)N2)(C)C(C)C.CC1=CC(=C(C=C1)C2=NC(C(=O)N2)(C)C(C)C)C(=O)OC

InChI

InChI=1S/2C16H20N2O3/c1-9(2)16(4)15(20)17-13(18-16)12-8-10(3)6-7-11(12)14(19)21-5;1-9(2)16(4)15(20)17-13(18-16)11-7-6-10(3)8-12(11)14(19)21-5/h2*6-9H,1-5H3,(H,17,18,20)

InChIKey

WXUNXXKSYBUHMK-UHFFFAOYSA-N

LogP

4.145440000000003

Topological Polar Surface Area

135.51999999999998 Å²

Hydrogen Bond Donor/Acceptor

2 / 10

Safety Information

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Toxicity

LD50 in rats, rabbits (mg/kg): >5000, 4500 orally, >2000, >2000 dermally (Hedlund, Anderson)

Synonyms & References

English

Assert(TM)
ac222293
ac293
cl222293
IMAZAMETHABENZ METHYL STANDARD
ASSERT
DAGGER
IMAZAMETHABENZ-METHYL
Benzoic acid,2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-4(or5)-methyl-, methyl ester
Imazamethabenz-methyl
Benzoic acid,2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-4(or5)-methyl-,...
Imazamethabenz methyl
IMAZAMETHABENZ-METHYL ANALYTICAL STANDARD MIXTURE OF ISOMERS
Imazamethabenz-methyl Solution
AC 222293
Assert
Assert 300
Dagger
Dagger G

MDL Number

MFCD09265341

Customs Code

29332900

FAQ

What regulatory guidelines apply to Methyl 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-4-methylbenzoate - methyl 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-5-methylbenzoate (1:1) (CAS: 81405-85-8)?

The compound (CAS: 81405-85-8) falls under the regulatory framework of the Global Harmonized System (GHS) for classification and labeling of chemicals. It is also subject to REACH regulations in the European Union, requiring registration if used in quantities above a certain threshold. In the United States, it may be regulated by the FDA for specific applications and the EPA for environmental protection and waste management.

Are there alternatives to Methyl 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-4-methylbenzoate - methyl 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-5-methylbenzoate (1:1) (CAS: 81405-85-8) in synthesis?

There are alternative reagents and synthetic pathways that can be used to produce similar compounds with similar functional groups. For instance, isosteres such as 2-aminobenzophenone and its derivatives can serve as viable alternatives, depending on the specific requirements of the synthesis and the desired properties of the final product.

What is the market or research trend for Methyl 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-4-methylbenzoate - methyl 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-5-methylbenzoate (1:1) (CAS: 81405-85-8)?

The market for this compound is likely driven by its use in pharmaceutical and agrochemical industries due to its antimicrobial properties. Research trends suggest a focus on optimizing synthesis methods and exploring its potential in new drug development and crop protection. Additionally, there is growing interest in its environmental impact and sustainability in manufacturing processes.

How should waste containing Methyl 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-4-methylbenzoate - methyl 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-5-methylbenzoate (1:1) (CAS: 81405-85-8) be handled?

Waste containing the compound should be collected in appropriate containers, labeled with the correct hazardous waste classification, and disposed of according to local regulations. Incineration is a common method for disposal, provided it meets the necessary emission standards. Alternatively, professional waste disposal services may be used to ensure safe and compliant handling. Environmental protection measures should include minimizing the release of the compound into the environment to protect ecosystems.