Cas no 942508-00-1 (1-tert-butyl-1H-pyrazole-3-carboxylic acid)

1-tert-butyl-1H-pyrazole-3-carboxylic acid structure
942508-00-1 structure
Product Name:1-tert-butyl-1H-pyrazole-3-carboxylic acid
CAS No:942508-00-1
MF:C8H12N2O2
MW:168.193081855774
MDL:MFCD21605339
CID:2093104
PubChem ID:56956210
Update Time:2024-10-25

1-tert-butyl-1H-pyrazole-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1-(tert-Butyl)-1H-pyrazole-3-carboxylic acid
    • 1-tert-butyl-1H-pyrazole-3-carboxylic acid
    • 1H-Pyrazole-3-carboxylic acid, 1-(1,1-dimethylethyl)-
    • 1-tert-butylpyrazole-3-carboxylic acid
    • AK165106
    • Z2471262513
    • 1-(1,1-Dimethylethyl)-1H-pyrazole-3-carboxylic acid (ACI)
    • 942508-00-1
    • Z1416189854
    • MFCD21605339
    • DB-161763
    • SCHEMBL17489077
    • DS-8928
    • CS-0044211
    • Y10433
    • AKOS025146753
    • EN300-268015
    • 1-(tert-Butyl)-1H-pyrazole-3-carboxylicacid
    • MDL: MFCD21605339
    • Inchi: 1S/C8H12N2O2/c1-8(2,3)10-5-4-6(9-10)7(11)12/h4-5H,1-3H3,(H,11,12)
    • InChI Key: YVWPAKDUPICHEE-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CN(C(C)(C)C)N=1)O

Computed Properties

  • Exact Mass: 168.089877630g/mol
  • Monoisotopic Mass: 168.089877630g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 186
  • 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: 55.1
  • XLogP3: 1

Experimental Properties

  • Boiling Point: 306.2°C at 760 mmHg

1-tert-butyl-1H-pyrazole-3-carboxylic acid Security Information

1-tert-butyl-1H-pyrazole-3-carboxylic acid Pricemore >>

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1-tert-butyl-1H-pyrazole-3-carboxylic acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Potassium tert-butoxide Solvents: Ethanol ,  Water ;  30 min, 70 °C
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Production Method 2

Reaction Conditions
Reference
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Production Method 3

Reaction Conditions
1.1 Reagents: Lithium hydroxide Solvents: Methanol ,  Tetrahydrofuran ,  Water ;  12 h, 25 °C
1.2 Reagents: Hydrochloric acid Solvents: Ethyl acetate ,  Water ;  acidified
Reference
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Production Method 4

Reaction Conditions
1.1 Reagents: Sulfuric acid Solvents: tert-Butanol ;  rt; 4 h, rt → 100 °C
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1-tert-butyl-1H-pyrazole-3-carboxylic acid Raw materials

1-tert-butyl-1H-pyrazole-3-carboxylic acid Preparation Products

1-tert-butyl-1H-pyrazole-3-carboxylic acid Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:942508-00-1)1-tert-butyl-1H-pyrazole-3-carboxylic acid
Order Number:A859493
Stock Status:in Stock
Quantity:5g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 08:18
Price ($):284.0
Recommended suppliers
Amadis Chemical Company Limited
(CAS:942508-00-1)1-tert-butyl-1H-pyrazole-3-carboxylic acid
A859493
Purity:99%
Quantity:5g
Price ($):284.0
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