Cas no 958991-48-5 (Methyl 2-fluoro-3-methoxybenzoate)

Methyl 2-fluoro-3-methoxybenzoate structure
958991-48-5 structure
Product Name:Methyl 2-fluoro-3-methoxybenzoate
CAS No:958991-48-5
MF:C9H9FO3
MW:184.164366483688
MDL:MFCD14698048
CID:1086053
Update Time:2024-10-25

Methyl 2-fluoro-3-methoxybenzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 2-fluoro-3-methoxybenzoate
    • GRWBDUGTSMVZOH-UHFFFAOYSA-N
    • methyl 2-fluoro-3-(methyloxy)benzoate
    • Benzoic acid, 2-fluoro-3-methoxy-, methyl ester
    • Methyl 2-fluoro-3-methoxybenzoate #
    • TD1359
    • AK105558
    • AB0058623
    • ST24047712
    • V9847
    • MDL: MFCD14698048
    • Inchi: 1S/C9H9FO3/c1-12-7-5-3-4-6(8(7)10)9(11)13-2/h3-5H,1-2H3
    • InChI Key: GRWBDUGTSMVZOH-UHFFFAOYSA-N
    • SMILES: O=C(C1C(F)=C(OC)C=CC=1)OC

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 184
  • XLogP3: 2.1
  • Topological Polar Surface Area: 35.5

Experimental Properties

  • Boiling Point: 260.5±25.0℃/760mmHg

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Methyl 2-fluoro-3-methoxybenzoate Production Method

Production Method 1

Reaction Conditions
1.1 Solvents: Diethyl ether ,  Methanol ,  Dichloromethane ;  0 °C; 0.5 h, 0 °C
Reference
Preparation of thiazole and oxazole kinase inhibitors for treating cancer
, World Intellectual Property Organization, , ,

Methyl 2-fluoro-3-methoxybenzoate Raw materials

Methyl 2-fluoro-3-methoxybenzoate Preparation Products

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