Cas no 852362-22-2 ((1-Benzyl-1H-pyrazol-4-yl)boronic acid)

(1-Benzyl-1H-pyrazol-4-yl)boronic acid structure
852362-22-2 structure
Product Name:(1-Benzyl-1H-pyrazol-4-yl)boronic acid
CAS No:852362-22-2
MF:C10H11BN2O2
MW:202.017542123795
MDL:MFCD04038760
CID:93076
PubChem ID:3352881
Update Time:2024-10-26

(1-Benzyl-1H-pyrazol-4-yl)boronic acid Chemical and Physical Properties

Names and Identifiers

    • (1-Benzyl-1H-pyrazol-4-yl)boronic acid
    • (1-benzylpyrazol-4-yl)boronic acid
    • 1-Benzyl-1H-pyrazole-4-boronic acid
    • 1H-Pyrazole-1-benzyl-4-boronic acid
    • 1-benzylpyrazol-4-ylboronic acid
    • B-[1-(Phenylmethyl)-1H-pyrazol-4-yl]boronic acid (ACI)
    • Boronic acid, [1-(phenylmethyl)-1H-pyrazol-4-yl]- (9CI)
    • 1-Benzyl-4-pyrazoleboronic acid
    • MFCD04038760
    • Boronic acid, [1-(phenylmethyl)-1H-pyrazol-4-yl]-
    • (1-Benzyl-1H-pyrazol-4-yl)boronicacid
    • J-504256
    • SCHEMBL578237
    • 1H-Pyrazole-1-benzyl-4-boronic acid (contains varying amounts of Anhydride)
    • NCGC00249527-01
    • DB-013579
    • CS-0046117
    • JXNAIAOHYPDQQC-UHFFFAOYSA-N
    • SY007372
    • AKOS004116327
    • 852362-22-2
    • DTXSID30391716
    • BS-2021
    • EN300-212556
    • CHEBI:188912
    • 1-benzylpyrazole-4-boronic acid
    • AB17200
    • D70990
    • MDL: MFCD04038760
    • Inchi: 1S/C10H11BN2O2/c14-11(15)10-6-12-13(8-10)7-9-4-2-1-3-5-9/h1-6,8,14-15H,7H2
    • InChI Key: JXNAIAOHYPDQQC-UHFFFAOYSA-N
    • SMILES: OB(C1=CN(CC2C=CC=CC=2)N=C1)O

Computed Properties

  • Exact Mass: 202.09100
  • Monoisotopic Mass: 202.091
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 198
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 58.3A^2

Experimental Properties

  • Color/Form: White solid
  • Density: 1.17
  • Melting Point: 76-81?°C
  • Boiling Point: 438.4°C at 760 mmHg
  • Flash Point: 219°C
  • Refractive Index: 1.579
  • PSA: 58.28000
  • LogP: -0.38880
  • Solubility: Not determined

(1-Benzyl-1H-pyrazol-4-yl)boronic acid Security Information

  • Hazard Statement: Irritant
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT
  • Storage Condition:2-8°C

(1-Benzyl-1H-pyrazol-4-yl)boronic acid 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%

(1-Benzyl-1H-pyrazol-4-yl)boronic acid Pricemore >>

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(1-Benzyl-1H-pyrazol-4-yl)boronic acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran ;  -78 °C; 30 min, -78 °C
1.2 Reagents: Triisopropyl borate ;  -78 °C; 30 min, -78 °C; 1 h, -78 °C → 0 °C
1.3 Reagents: Hydrochloric acid Solvents: Water
Reference
Electro-alkynylation: Intramolecular Rearrangement of Trialkynylorganoborates for Chemoselective C(sp2)-C(sp) Bond Formation
Music, Arif ; Nuber, Constantin M.; Lemke, Yannick; Spiess, Philipp; Didier, Dorian, Organic Letters, 2021, 23(11), 4179-4184

(1-Benzyl-1H-pyrazol-4-yl)boronic acid Raw materials

(1-Benzyl-1H-pyrazol-4-yl)boronic acid Preparation Products

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