Methyl 2-Oxo-2-(2-methylphenyl)acetate - CAS 34966-54-6
Catalog: |
BB022378 |
Product Name: |
Methyl 2-Oxo-2-(2-methylphenyl)acetate |
CAS: |
34966-54-6 |
Synonyms: |
2-(2-methylphenyl)-2-oxoacetic acid methyl ester; methyl 2-(2-methylphenyl)-2-oxoacetate |
IUPAC Name: | methyl 2-(2-methylphenyl)-2-oxoacetate |
Description: | Methyl 2-Oxo-2-(2-methylphenyl)acetate (CAS# 34966-54-6) is an intermediate in the synthesis of Trifloxystrobin (T778900), a broad-spectrum foliar fungicide used in plant protection. |
Molecular Weight: | 178.18 |
Molecular Formula: | C10H10O3 |
Canonical SMILES: | CC1=CC=CC=C1C(=O)C(=O)OC |
InChI: | InChI=1S/C10H10O3/c1-7-5-3-4-6-8(7)9(11)10(12)13-2/h3-6H,1-2H3 |
InChI Key: | QMJRGFDWGOXABE-UHFFFAOYSA-N |
Boiling Point: | 274 ℃ |
Density: | 1.133 g/cm3 |
LogP: | 1.34650 |
Publication Number | Title | Priority Date |
WO-2019049167-A1 | IMPROVED PROCESS FOR THE PREPARATION OF TRIFLOXYSTROBIN | 20170911 |
US-2020283373-A1 | An improved process for the preparation of trifloxystrobin | 20170911 |
KR-102261399-B1 | UV curable silicone composition and cured product thereof | 20160630 |
WO-2017085747-A2 | A novel process for the preparation of trifloxystrobin | 20151119 |
WO-2017085747-A4 | A novel process for the preparation of trifloxystrobin | 20151119 |
Complexity: | 210 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.062994177 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 43.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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