(E)-PYRIMINOBAC-METHYL

Basic Information

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CAS Number

147411-69-6

Molecular Formula

C17H19N3O6

Molecular Weight

361.3 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

Basic Physical Properties

SMILES

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CC(=NOC)C1=C(C(=CC=C1)OC2=NC(=CC(=N2)OC)OC)C(=O)OC

InChI

InChI=1S/C17H19N3O6/c1-10(20-25-5)11-7-6-8-12(15(11)16(21)24-4)26-17-18-13(22-2)9-14(19-17)23-3/h6-9H,1-5H3/b20-10+

InChIKey

USSIUIGPBLPCDF-KEBDBYFISA-N

LogP

2.84

Topological Polar Surface Area

101.36 Å²

Hydrogen Bond Donor/Acceptor

0 / 9

Complexity

477

Synonyms & References

English

SCHEMBL65714
KIH-6127
LS-14583
E-Pyriminobac-methyl
PYRIMINOBAC METHYL ESTER
KUH 920
Pyriminobac-methyl [ISO]
Prosper
Pyriminobac-methyl, BSI
(Z)-Pyriminobac-methyl 10 microg/mL in Cyclohexane
Pyriminobac-methyl [ISO:BSI]
(E)-Pyriminobac-methyl 10 microg/mL in Cyclohexane
Methyl (E)-2-((4,6-dimethoxypyrimidin-2-yl)oxy)-6-(1-(N-methoxyimino)ethyl)benzoate
Pyriminobac-methyl (E)
BENZOIC ACID, 2-((4,6-DIMETHOXY-2-PYRIMIDINYL)OXY)-6-((1E)-1-(METHOXYIMINO)ETHYL)-, METHYL ESTER
DTXSID5058307
Pyriminobac-methyl
USSIUIGPBLPCDF-JMIUGGIZSA-N
KUH-920
CHEBI:81780
KIH 6127
147411-69-6
AKOS015911116
UNII-WJ3768O35Z
methyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-[(E)-N-methoxy-C-methylcarbonimidoyl]benzoate
HIECLEAN
Q27231173
(E)-PYRIMINOBAC-METHYL
WJ3768O35Z
136191-64-5
C18486

MDL Number

MFCD03427471

FAQ

What are the physical and chemical properties of (E)-PYRIMINOBAC-METHYL (CAS: 147411-69-6)?

(E)-Pyriminobac-methyl is a white crystalline solid with a molecular weight of approximately 235.24 g/mol. It has good water solubility and moderate solubility in organic solvents. The compound is relatively stable under normal conditions but may react with strong bases. It shows low reactivity towards common organic reactions.

How is (E)-PYRIMINOBAC-METHYL (CAS: 147411-69-6) typically synthesized?

(E)-Pyriminobac-methyl is typically synthesized via a multistep process involving the condensation of a substituted pyrimidine with a methyl acrylate derivative. The synthesis involves the use of Lewis acids and base catalysts to achieve high selectivity and yield. The method is characterized by good reproducibility and scalability.

What industries use (E)-PYRIMINOBAC-METHYL (CAS: 147411-69-6)?

(E)-Pyriminobac-methyl is primarily used in the agricultural sector as a pre-emergence herbicide. It is also explored for its potential applications in pharmaceuticals, particularly in the development of new agrochemicals. Its chemical structure makes it relevant to industries focusing on crop protection and plant health management.

What precautions should be taken when handling (E)-PYRIMINOBAC-METHYL (CAS: 147411-69-6)?

When handling (E)-pyriminobac-methyl, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be handled with caution, and the Material Safety Data Sheet (MSDS) or Safety Data Sheet (SDS) should be consulted for specific instructions. Ensure proper storage in a cool, dry place, away from incompatible materials.