Cas no 89006-96-2 (5-(propan-2-yl)-1,3-oxazole-4-carboxylic acid)

5-(propan-2-yl)-1,3-oxazole-4-carboxylic acid structure
89006-96-2 structure
Product Name:5-(propan-2-yl)-1,3-oxazole-4-carboxylic acid
CAS No:89006-96-2
MF:C7H9NO3
MW:155.151262044907
MDL:MFCD07376161
CID:616315
PubChem ID:13488799
Update Time:2024-10-26

5-(propan-2-yl)-1,3-oxazole-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-Isopropyloxazole-4-carboxylic acid
    • 4-Oxazolecarboxylic acid, 5-(1-methylethyl)-
    • 5-isopropyl-1,3-oxazole-4-carboxylic acid(SALTDATA: FREE)
    • 5-propan-2-yl-1,3-oxazole-4-carboxylic acid
    • 5-(propan-2-yl)-1,3-oxazole-4-carboxylic acid
    • 5-(1-Methylethyl)-4-oxazolecarboxylic acid (ACI)
    • 5-Isopropyl-1,3-oxazole-4-carboxylic acid
    • AT13845
    • ZVOZWIXEPNCJFY-UHFFFAOYSA-N
    • 5-(1-Methylethyl)-1,3-oxazole-4-carboxylic acid
    • 5-isopropyl-4-oxazolecarboxylic acid
    • MFCD07376161
    • 5-Isopropyloxazole-4-carboxylicacid
    • DTXSID80542034
    • LS-11153
    • SCHEMBL1430824
    • 89006-96-2
    • ALBB-031016
    • 5-isopropyl-oxazole-4-carboxylic acid
    • Z838909116
    • F8881-5197
    • EN300-73670
    • AKOS010901592
    • MDL: MFCD07376161
    • Inchi: 1S/C7H9NO3/c1-4(2)6-5(7(9)10)8-3-11-6/h3-4H,1-2H3,(H,9,10)
    • InChI Key: ZVOZWIXEPNCJFY-UHFFFAOYSA-N
    • SMILES: O=C(C1=C(C(C)C)OC=N1)O

Computed Properties

  • Exact Mass: 155.058243149g/mol
  • Monoisotopic Mass: 155.058243149g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 158
  • 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: 63.3?2

5-(propan-2-yl)-1,3-oxazole-4-carboxylic acid Pricemore >>

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5-(propan-2-yl)-1,3-oxazole-4-carboxylic acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sodium hydroxide Solvents: Tetrahydrofuran ,  Water ;  0 °C; 30 min, 0 °C; 2 h, rt
1.2 Reagents: Hydrochloric acid Solvents: Water ;  acidified
Reference
Widely Exploited, Yet Unreported: Regiocontrolled Synthesis and the Suzuki-Miyaura Reactions of Bromooxazole Building Blocks
Solomin, Vitalii V.; Radchenko, Dmytro S. ; Slobodyanyuk, Evgeniy Y.; Geraschenko, Oleksandr V.; Vashchenko, Bohdan V. ; et al, European Journal of Organic Chemistry, 2019, 2019(18), 2884-2898

Production Method 2

Reaction Conditions
Reference
Oxazole derivatives as anticholesteremics
, Japan, , ,

5-(propan-2-yl)-1,3-oxazole-4-carboxylic acid Raw materials

5-(propan-2-yl)-1,3-oxazole-4-carboxylic acid Preparation Products

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