Cas no 87524-66-1 (4-(2-methoxy-2-oxo-ethyl)benzoic acid)

4-(2-methoxy-2-oxo-ethyl)benzoic acid structure
87524-66-1 structure
Product Name:4-(2-methoxy-2-oxo-ethyl)benzoic acid
CAS No:87524-66-1
MF:C10H10O4
MW:194.184003353119
MDL:MFCD18782075
CID:2123445
PubChem ID:13816144
Update Time:2024-10-26

4-(2-methoxy-2-oxo-ethyl)benzoic acid Chemical and Physical Properties

Names and Identifiers

    • 4-(2-methoxy-2-oxoethyl)benzoic acid
    • 4-[(Methoxycarbonyl)methyl]benzoic acid
    • LUFHLJPQDOKZKU-UHFFFAOYSA-N
    • 4-Methoxycarbonylmethyl-benzoic acid
    • AK320299
    • 4-((methoxycarbonyl) methyl)benzoic acid
    • 4-Carboxy-benzeneacetic acid methyl ester
    • 4-[2-(Methyloxy)-2-oxoethyl]benzoic acid
    • Benzeneacetic acid, 4-carboxy-, a-methyl ester
    • Z2510258120
    • 4-(2-methoxy-2-oxo-ethyl)benzoic acid
    • 1-Methyl 4-carboxybenzeneacetate (ACI)
    • Benzeneacetic acid, 4-carboxy-, α-methyl ester (9CI)
    • p-Toluic acid, α-carboxy-, α-methyl ester (6CI)
    • Methyl (4-carboxyphenyl)acetate
    • α-Methyl 4-carboxyphenylacetic acid
    • DA-16295
    • SCHEMBL479979
    • MFCD18782075
    • 1019352-61-4
    • Z1198661961
    • DA-01791
    • 87524-66-1
    • AKOS006370364
    • DS-11678
    • 4-(2-methoxy-2-oxoethyl)benzoicacid
    • CS-0105464
    • SY199611
    • EN300-203147
    • A12909
    • MDL: MFCD18782075
    • Inchi: 1S/C10H10O4/c1-14-9(11)6-7-2-4-8(5-3-7)10(12)13/h2-5H,6H2,1H3,(H,12,13)
    • InChI Key: LUFHLJPQDOKZKU-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CC(CC(OC)=O)=CC=1)O

Computed Properties

  • Exact Mass: 194.05790880g/mol
  • Monoisotopic Mass: 194.05790880g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 216
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.4
  • Topological Polar Surface Area: 63.6

Experimental Properties

  • Density: 1.254±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 136 oC
  • Solubility: Slightly soluble (3.9 g/l) (25 o C),

4-(2-methoxy-2-oxo-ethyl)benzoic acid Security Information

  • Hazard Statement: H317-H319
  • Storage Condition:Sealed in dry,Room Temperature

4-(2-methoxy-2-oxo-ethyl)benzoic acid Pricemore >>

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4-(2-methoxy-2-oxo-ethyl)benzoic acid Production Method

Production Method 1

Reaction Conditions
1.1 Catalysts: Thionyl chloride Solvents: Methanol
1.2 Reagents: Hydrochloric acid Solvents: Water
Reference
A simple method for the preparation of monomethyl esters of dicarboxylic acids by selective esterification of the nonconjugated carboxyl group in the presence of an aromatic or conjugated carboxyl group
Ram, Ram N.; et al, Journal of Chemical Research, 2000, (6), 282-283

Production Method 2

Reaction Conditions
1.1 Reagents: Methanol ,  Phosphorus pentoxide ,  Sodium sulfate ,  Copper sulfate
Reference
Use of phosphorus pentoxide. Preparation of half-esters through selective esterification
Banerjee, Amalendu; et al, Journal of the Indian Chemical Society, 1987, 64(1), 34-7

Production Method 3

Reaction Conditions
1.1 Reagents: Sulfuric acid ,  Ozone Catalysts: Manganese diacetate Solvents: Acetic acid ;  20 °C; 20 °C
Reference
Concerning chemistry, reactivity, and mechanism of transition metal catalyzed oxidation of benzylic compounds by means of ozone
Waser, Mario; et al, Journal of Molecular Catalysis A: Chemical, 2005, 236(1-2), 187-193

4-(2-methoxy-2-oxo-ethyl)benzoic acid Raw materials

4-(2-methoxy-2-oxo-ethyl)benzoic acid Preparation Products

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