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1-(2,6-difluorophenyl)cyclopropanecarboxylic acid is a chemical compound characterized by the molecular formula C11H10F2O2. It is a cyclopropane derivative featuring a carboxylic acid functional group and two fluorine atoms attached to the phenyl ring. 1-(2,6-difluorophenyl)cyclopropanecarboxylic acid is known for its potential as a building block in the synthesis of more complex organic molecules, particularly in the pharmaceutical and agrochemical industries.

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  • 139229-58-6 Structure
  • Basic information

    1. Product Name: 1-(2,6-difluorophenyl)cyclopropanecarboxylic acid
    2. Synonyms: 1-(2,6-difluorophenyl)cyclopropanecarboxylic acid
    3. CAS NO:139229-58-6
    4. Molecular Formula: C10H8F2O2
    5. Molecular Weight: 198.1661264
    6. EINECS: N/A
    7. Product Categories: Carboxylic Acids;Phenyls & Phenyl-Het
    8. Mol File: 139229-58-6.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 305.2±42.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.451±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. PKA: 3?+-.0.20(Predicted)
    10. CAS DataBase Reference: 1-(2,6-difluorophenyl)cyclopropanecarboxylic acid(CAS DataBase Reference)
    11. NIST Chemistry Reference: 1-(2,6-difluorophenyl)cyclopropanecarboxylic acid(139229-58-6)
    12. EPA Substance Registry System: 1-(2,6-difluorophenyl)cyclopropanecarboxylic acid(139229-58-6)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 139229-58-6(Hazardous Substances Data)

139229-58-6 Usage

Uses

Used in Pharmaceutical Industry:
1-(2,6-difluorophenyl)cyclopropanecarboxylic acid is used as a key intermediate in the synthesis of various pharmaceuticals. Its unique structure and functional groups allow for the creation of a wide range of therapeutic agents, contributing to the development of new drugs with improved efficacy and safety profiles.
Used in Agrochemical Industry:
In the agrochemical sector, 1-(2,6-difluorophenyl)cyclopropanecarboxylic acid serves as a valuable precursor for the development of novel agrochemicals. Its incorporation into the molecular structure of these compounds can enhance their pesticidal, herbicidal, or fungicidal properties, leading to more effective crop protection and increased agricultural productivity.
Used in Material Development:
1-(2,6-difluorophenyl)cyclopropanecarboxylic acid's chemical reactivity and interaction with other substances make it a promising candidate for the development of new materials with specific properties. These materials could have applications in various industries, such as electronics, automotive, or aerospace, where high-performance materials are in demand.
Used in Industrial Processes:
1-(2,6-difluorophenyl)cyclopropanecarboxylic acid may also find applications in other industrial processes, where its unique properties can be harnessed to improve the efficiency, sustainability, or performance of various manufacturing techniques. The precise applications will depend on the specific requirements of each industry and the compound's compatibility with other materials and processes.

Check Digit Verification of cas no

The CAS Registry Mumber 139229-58-6 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,3,9,2,2 and 9 respectively; the second part has 2 digits, 5 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 139229-58:
(8*1)+(7*3)+(6*9)+(5*2)+(4*2)+(3*9)+(2*5)+(1*8)=146
146 % 10 = 6
So 139229-58-6 is a valid CAS Registry Number.

139229-58-6Relevant articles and documents

Synthesis and antiviral properties of new derivatives of 2-(alkylsulfanyl)-6-[1-(2,6-difluorophenyl)cyclopropyl]-5-methylpyrimidin-4(3H)-one

Novakov,Yablokov,Orlinson,Navrotskii,Kirillov,Vernigora,Babushkin,Kachala,Schols

, p. 1188 - 1193 (2016)

Based on 2-(2,6-difluorophenyl)acetonitrile a synthesis was performed of new bioisosteric prochiral analogs of anti-HIV-1 active derivatives of 2-alkoxy-6-benzylpyrimidin-4(3Н)-one that we had previously obtained. The study using infected and nonifected strains of cells MT-4 made it possible to find in all prepared compounds a high anti-HIV activity whereas the cytotoxicity of the substances depended strongly on the structure of the alkylsulfanyl fragment of the molecule.

Preparation method of arylcyclopropane compound

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Paragraph 0089-0093; 0109-0113, (2022/01/10)

The present invention discloses a method for preparing an arylcyclopropane compound, 1.0eq phenylacetonitrile and 1.1eq 1-bromo-2-chloroethane as the starting material, N, N- dimethylacetamide as a solvent, solvent dosage of 10V, plus 2.5eq sodium hydride

1,3-SUBSTITUED PYRAZOLE COMPOUNDS USEFUL FOR REDUCTION OF VERY LONG CHAIN FATTY ACIC LEVELS

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Paragraph 326; 329, (2018/06/30)

Disclosed are chemical entities which are compounds of Formula (I) and pharmaceutically acceptable salts thereof, wherein Formula (I) has the structure: R1a, R1b, R2, R3, R4a, R4b and Y are as defined herein. These chemical entities are useful for reduction of very long chain fatty acid levels. These chemical entities and pharmaceutically acceptable compositions comprising such chemical entities can be useful for treating various diseases, disorders and conditions, such as adrenoleukodystrophy (ALD).

Synthesis of 3-oxoesters and functional derivatives of pyrimidin-4(3Н)-one based on 1-(2,6-dihalophenyl)cyclopropan-1-carboxylic acids

Novakov,Yablokov,Navrotskii,Mkrtchyan,Vernigora,Babushkin,Kachala,Ruchko

, p. 224 - 230 (2017/04/13)

Special features of the synthesis and chemical transformations of novel functional derivatives of 6-[1-(2,6-dihalophenyl)cyclopropyl]pyrimidin-4(3H)-one and ethyl esters of 3-[1-(2,6-dihalophenyl)cyclopropyl]-2-methyl-3-oxopropanoic acids prepared from 2-(2,6-dihalophenyl)acetonitriles have been revealed. Novel achiral structural analogs of experimental anti-HIV agent МС-1501 have been synthesized.

Pd(II)-catalyzed enantioselective C-H activation of cyclopropanes

Wasa, Masayuki,Engle, Keary M.,Lin, David W.,Yoo, Eun Jeong,Yu, Jin-Quan

, p. 19598 - 19601 (2012/01/17)

Systematic ligand development has led to the identification of novel mono-N-protected amino acid ligands for Pd(II)-catalyzed enantioselective C-H activation of cyclopropanes. A diverse range of organoboron reagents can be used as coupling partners, and the reaction proceeds under mild conditions. These results provide a new retrosynthetic disconnection for the construction of enantioenriched cis-substituted cyclopropanecarboxylic acids.

Ortho-substituted benzyl esters of cyclopropanecarboxylic acids

-

, (2008/06/13)

Ortho-substituted benzyl esters of cyclopropanecarboxylic acids I STR1 where X is N or CH and A is one of the following cyclopropane radicals: STR2 where R1 is CN, C2 -C8 -alkyl, CF3, C3 -C8 -alkenyl, (C1 -C4 -alkoxycarbonyl, unsubstituted or substituted phenyl-C1 -C6 -alkyl or phenyl-C3 -C6 -alkenyl, ethoxyphenyl, 2- or 3-bromophenyl, 2- or 4-trifluoromethylphenyl, 2,4- or 2,6-difluorophenyl, 2-fluoro-6-chlorophenyl, 2,4- or 2,6-dimethylphenyl, 2,3,6-trichlorophenyl or trimethylsilyl, R2 is H or halogen, R3 is unsubstituted or substituted phenyl, R4 is CH3 or halogen and Hal is halogen, with the proviso that X is CH when R1 is CF3 or trimethylsilyl, are suitable as fungicides and for controlling pests.

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