Cas no 933724-95-9 (3-(1,3-thiazol-5-yl)propanoic acid)

3-(1,3-thiazol-5-yl)propanoic acid structure
933724-95-9 structure
Product Name:3-(1,3-thiazol-5-yl)propanoic acid
CAS No:933724-95-9
MF:C6H7NO2S
MW:157.190280199051
MDL:MFCD17267444
CID:999658
PubChem ID:45121677
Update Time:2024-10-26

3-(1,3-thiazol-5-yl)propanoic acid Chemical and Physical Properties

Names and Identifiers

    • 5-Thiazolepropanoic acid
    • 3-(1,3-thiazol-5-yl)propanoic acid
    • 3-(Thiazol-5-yl)propanoicacid
    • EN300-223524
    • CS-0159433
    • BS-51054
    • DS-017002
    • SCHEMBL2517712
    • DTXSID50669222
    • 3-(Thiazol-5-yl)propanoic acid
    • 933724-95-9
    • 5-THIAZOLEPROPANOIC ACID
    • MDL: MFCD17267444
    • Inchi: 1S/C6H7NO2S/c8-6(9)2-1-5-3-7-4-10-5/h3-4H,1-2H2,(H,8,9)
    • InChI Key: GHLKHRAWUVKIQA-UHFFFAOYSA-N
    • SMILES: O=C(CCC1=CN=CS1)O

Computed Properties

  • Exact Mass: 157.02
  • Monoisotopic Mass: 157.02
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 3
  • Complexity: 129
  • 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
  • Topological Polar Surface Area: 78.4A^2
  • XLogP3: 0.7

3-(1,3-thiazol-5-yl)propanoic acid Pricemore >>

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3-(1,3-thiazol-5-yl)propanoic acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Acetic acid Catalysts: Palladium Solvents: Methanol ;  46 h, 50 psi, rt
Reference
Preparation of piperazine pentanamide HIV protease inhibitors and methods of treating AIDS
, World Intellectual Property Organization, , ,

Production Method 2

Reaction Conditions
1.1 Reagents: Lithium bis(trimethylsilyl)amide Solvents: Tetrahydrofuran ;  4 min, 0 °C; 5 min, 0 °C; 15 min
1.2 30 min, 0 °C; 17 h
1.3 Reagents: Water
1.4 Reagents: Sodium borohydride Solvents: Ethanol ;  10 min
1.5 Reagents: Water
1.6 Reagents: Sodium hydroxide Solvents: Tetrahydrofuran ,  Water ;  5.5 h, rt
1.7 Reagents: Hydrochloric acid Solvents: Water ;  pH 1, rt
1.8 Reagents: Hydrogen Catalysts: Palladium Solvents: Ethanol ,  Ethyl acetate ;  21 h, 1 atm, rt
Reference
Beta-lactamase inhibitors
, World Intellectual Property Organization, , ,

Production Method 3

Reaction Conditions
1.1 10 min, 170 °C
Reference
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3-(1,3-thiazol-5-yl)propanoic acid Raw materials

3-(1,3-thiazol-5-yl)propanoic acid Preparation Products

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