Cas no 19820-59-8 (Benzoic acid 2-methyl-propanoyl ester)

Benzoic acid 2-methyl-propanoyl ester structure
19820-59-8 structure
Product Name:Benzoic acid 2-methyl-propanoyl ester
CAS No:19820-59-8
MF:C11H12O3
MW:192.211183547974
CID:5616314
PubChem ID:15556046
Update Time:2023-09-05

Benzoic acid 2-methyl-propanoyl ester Chemical and Physical Properties

Names and Identifiers

    • SCHEMBL2729575
    • Benzoic acid (2-methylpropionic acid)anhydride
    • 19820-59-8
    • Benzoic acid, anhydride with 2-methylpropanoic acid
    • DTXSID501226117
    • benzoic acid 2-methyl-propanoyl ester
    • 1-methylpropanoic phenyl anhydride
    • Benzoic acid 2-methyl-propanoyl ester
    • Inchi: 1S/C11H12O3/c1-8(2)10(12)14-11(13)9-6-4-3-5-7-9/h3-8H,1-2H3
    • InChI Key: UFIHYFWILAYCSP-UHFFFAOYSA-N
    • SMILES: O(C(C1C=CC=CC=1)=O)C(C(C)C)=O

Computed Properties

  • Exact Mass: 192.078644241g/mol
  • Monoisotopic Mass: 192.078644241g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 215
  • 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: 2.6
  • Topological Polar Surface Area: 43.4?2

Benzoic acid 2-methyl-propanoyl ester Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Divinylbenzene-4-vinylpyridine copolymer Solvents: Dichloromethane
Reference
Phase-managed organic synthesis. 2. A new polymer-assisted synthesis of acid anhydrides
Fife, Wilmer K.; et al, Tetrahedron Letters, 1986, 27(41), 4933-6

Benzoic acid 2-methyl-propanoyl ester Raw materials

Benzoic acid 2-methyl-propanoyl ester Preparation Products

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