Fenoxaprop-p-ethyl - analytical standard, ≥97% , CAS No.71283-80-2

CAS: 71283-80-2 Cat. No.: F110302 Molecular Weight: 361.78 Beilstein Registry Number: 8158010 EC Number: 682-517-7

GRADE & PURITY Analytical standard, ≥97%

Synonyms

Fenoxaprop-P-ethyl | Propanoic acid, 2-(4-((6-chloro-2-benzoxazolyl)oxy)phenoxy)-, ethyl ester, (2R)- | Fenoxaprop-P-ethyl [ISO:BSI] | 2-fluoropryridine-3-boronic acid | 3-hydroxy-6-(Trifluoromethyl)pyridine | MFCD01930221 | FENOXAPROP-P ETHYL ESTER | SCH

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

Fenoxaprop-P-ethyl | Propanoic acid, 2-(4-((6-chloro-2-benzoxazolyl)oxy)phenoxy)-, ethyl ester, (2R)- | Fenoxaprop-P-ethyl [ISO:BSI] | 2-fluoropryridine-3-boronic acid | 3-hydroxy-6-(Trifluoromethyl)pyridine | MFCD01930221 | FENOXAPROP-P ETHYL ESTER | SCH

Specifications & Purity

analytical standard, ≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Analytical standard

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl
• IUPAC Name: ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate
• InChIKey: PQKBPHSEKWERTG-LLVKDONJSA-N
• INCHI: 1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3/t11-/m1/s1
• Isomeric SMILES: CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl
• WGK Germany: 2
• Molecular Weight: 361.78
• Beilstein: 8158010
• Reaxy-Rn: 1166633
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1166633&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass 2-phenoxypropionic acid esters

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: 2-phenoxypropionic acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-phenoxypropionic acid esters
• Alternative Parents: Phenoxyacetic acid derivatives Diarylethers Benzoxazoles Phenoxy compounds Phenol ethers Alkyl aryl ethers Aryl chlorides Oxazoles Heteroaromatic compounds Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-phenoxypropionic acid ester - Diaryl ether - Phenoxyacetate - Benzoxazole - Phenoxy compound - Phenol ether - Alkyl aryl ether - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Oxazole - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Azacycle - Ether - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 2-phenoxypropionic acid esters. These are aromatic compounds hat contain a phenol ether attached to the C2-atom of a phenylpropionic acid ester.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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Echinochloa crus-galli (3685 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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Brassica napus (1186 Activities)

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Alopecurus japonicus (18 Activities)

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Avena sterilis (890 Activities)

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Festuca rubra (8 Activities)

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Digitaria ciliaris (285 Activities)

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Poa pratensis subsp. pratensis (9 Activities)

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Chenopodium ficifolium (66 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Specific Rotation[α]: +29°, c = 1 in chloroform
• Melt Point(°C): 79-84°C
• Molecular Weight: 361.800 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 361.072 Da
• Monoisotopic Mass: 361.072 Da
• Topological Polar Surface Area: 70.800 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 443.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Xinyun Xu, Jiahao Wang, Ting Yu, Haohan Nian, Hui Zhang, Guangli Wang, Feng Li.  (2019)  Characterization of a novel aryloxyphenoxypropionate herbicide-hydrolyzing carboxylesterase with R-enantiomer preference from Brevundimonas sp. QPT-2.  PROCESS BIOCHEMISTRY,      [PMID:] [10.1016/j.procbio.2019.03.013]

2. Zhang Hui, Li Mengya, Li Jie, Wang Guangli, Liu Yuan.  (2017)  Purification and properties of a novel quizalofop-p-ethyl-hydrolyzing esterase involved in quizalofop-p-ethyl degradation by Pseudomonas sp. J-2.  Microbial Cell Factories,  16  (1): (1-10).  [PMID:28490371] [10.1186/s12934-017-0695-8]

3. Hui Zhang, Mengya Li, Jie Li, Guangli Wang, Feng Li, Dayong Xu, Yuan Liu, Minghua Xiong.  (2016)  A key esterase required for the mineralization of quizalofop-p-ethyl by a natural consortium of Rhodococcus sp. JT-3 and Brevundimonas sp. JT-9.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:28027504] [10.1016/j.jhazmat.2016.12.038]

4. Jiao Li, Panpan Cui, Zhijia Wang, Yang Lu, Yuan Ding, Xiude Hua.  (2024)  Rapid and sensitive detection of haloxyfop-P-methyl by competitive and noncompetitive immunoassays using phage-displayed peptides.  Food Bioscience,      [PMID:] [10.1016/j.fbio.2024.105271]

5. Renjie Xu, Ganbing Yao.  (2024)  Solubility measurement, calculation, solvent effect and preferential solvation of fenoxaprop-p-ethyl in four cosolvent mixtures at (278.15–323.15) K.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2024.125377]

6. Yingying Qian, Houyu Yu, Qihuan He, Dandan Fan, Gerben J. Zylstra, Hancheng Wang, Xing Huang.  (2025)  A Novel Trifunctional Hydrolase Cleaving C−O, C−N, and C−C Bonds and Its Widespread Distribution in Proteobacteria and Actinobacteria.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:40555018] [10.1016/j.jhazmat.2025.139002]