Cas no 93323-67-2 (Pyrazole-1-acetic Acid, 3,5-diphenyl-)

Pyrazole-1-acetic Acid, 3,5-diphenyl- structure
93323-67-2 structure
Product Name:Pyrazole-1-acetic Acid, 3,5-diphenyl-
CAS No:93323-67-2
MF:C17H14N2O2
MW:278.305263996124
MDL:MFCD00299897
CID:61622
PubChem ID:824607
Update Time:2024-10-26

Pyrazole-1-acetic Acid, 3,5-diphenyl- Chemical and Physical Properties

Names and Identifiers

    • 2-(3,5-Diphenyl-1H-pyrazol-1-yl)acetic acid
    • (3,5-Diphenyl-pyrazol-1-yl)-acetic acid
    • 2-(3,5-diphenylpyrazol-1-yl)acetic acid
    • 3,5-diphenyl- 1H-Pyrazole-1-acetic acid
    • 1-Carboxymethyl-3,5-diphenyl-pyrazol
    • 3,5-Diphenyl-1H-pyrazole-1-acetic acid (ACI)
    • Pyrazole-1-acetic acid, 3,5-diphenyl- (7CI)
    • SCHEMBL14972945
    • 1H-pyrazole-1-acetic acid, 3,5-diphenyl-
    • (3,5-diphenylpyrazol-1-yl)acetic acid
    • STK506061
    • 93323-67-2
    • DB-079504
    • IIHJYPFNYZEWPS-UHFFFAOYSA-N
    • HMS1377B17
    • CHEMBL1702330
    • CCG-33362
    • MFCD00299897
    • AKOS000301292
    • ALBB-009741
    • SR-01000551344-1
    • HMS2846I13
    • 1H-Pyrazole-1-aceticacid, 3,5-diphenyl-
    • 2-(3,5-diphenyl-1H-pyrazol-1-yl)aceticacid
    • LS-03244
    • CS-0156360
    • D83136
    • (3,5-diphenyl-1H-pyrazol-1-yl)acetic acid
    • DTXSID40356452
    • EU-0093578
    • SMR000516008
    • ChemDiv2_002855
    • MLS001201420
    • SR-01000551344
    • Pyrazole-1-acetic Acid, 3,5-diphenyl-
    • MDL: MFCD00299897
    • Inchi: 1S/C17H14N2O2/c20-17(21)12-19-16(14-9-5-2-6-10-14)11-15(18-19)13-7-3-1-4-8-13/h1-11H,12H2,(H,20,21)
    • InChI Key: IIHJYPFNYZEWPS-UHFFFAOYSA-N
    • SMILES: O=C(CN1C(C2C=CC=CC=2)=CC(C2C=CC=CC=2)=N1)O

Computed Properties

  • Exact Mass: 278.10600
  • Monoisotopic Mass: 278.106
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 4
  • Complexity: 349
  • 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: 55.1A^2
  • XLogP3: 3.3

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Melting Point: Not available
  • Boiling Point: 496.2°C at 760 mmHg
  • Flash Point: 253.9°C
  • PSA: 55.12000
  • LogP: 3.30170
  • Vapor Pressure: 0.0±1.3 mmHg at 25°C

Pyrazole-1-acetic Acid, 3,5-diphenyl- Security Information

Pyrazole-1-acetic Acid, 3,5-diphenyl- Customs Data

  • HS CODE:2933199090
  • Customs Data:

    China Customs Code:

    2933199090

    Overview:

    2933199090. Other structurally non fused pyrazole ring compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Pyrazole-1-acetic Acid, 3,5-diphenyl- Pricemore >>

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Pyrazole-1-acetic Acid, 3,5-diphenyl- Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Potassium carbonate Solvents: Acetonitrile ;  rt; 2 h, reflux
1.2 Reagents: Sodium hydroxide Solvents: Water ;  4 h, rt
1.3 Reagents: Hydrochloric acid Solvents: Water ;  acidified, rt
Reference
Metal-Free Synthesis of Pyrazoles from 1,3-Diarylpropenes and Hydrazines via Multiple Inter-/Intramolecular C-H Aminations
Tang, Li; Ma, Minyan; Zhang, Qi; Luo, Huan; Wang, Tao; et al, Advanced Synthesis & Catalysis, 2017, 359(15), 2610-2620

Pyrazole-1-acetic Acid, 3,5-diphenyl- Raw materials

Pyrazole-1-acetic Acid, 3,5-diphenyl- Preparation Products

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