Cas no 852180-74-6 (3-Pyrimidin-5-yl-benzoic acid)

3-Pyrimidin-5-yl-benzoic acid structure
3-Pyrimidin-5-yl-benzoic acid structure
Product Name:3-Pyrimidin-5-yl-benzoic acid
CAS No:852180-74-6
MF:C11H8N2O2
MW:200.193422317505
MDL:MFCD05864810
CID:720484
PubChem ID:4187250
Update Time:2024-10-26

3-Pyrimidin-5-yl-benzoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-Pyrimidin-5-yl-benzoic acid
    • 3-Pyrimidin-5-ylbenzoic acid
    • Benzoic acid,3-(5-pyrimidinyl)-
    • 3-(pyrimidin-5-yl)benzoic acid
    • 3-(5-Pyrimidinyl)benzoic acid
    • URQRFVRGUHUTMI-UHFFFAOYSA-N
    • Benzoic acid, 3-(5-pyrimidinyl)-
    • SBB052795
    • 3-pyrimidin-5-ylbenzoic acid, AldrichCPR
    • ST2417843
    • W8798
    • ST50949586
    • BB 0222967
    • 3-(5-Pyrimidinyl)benzoic acid (ACI)
    • TS-02827
    • SCHEMBL941437
    • 852180-74-6
    • CHEMBL4177427
    • DB-001734
    • 3-(pyrimidin-5-yl)benzoicacid
    • Z992239950
    • J-513097
    • SB39038
    • MFCD05864810
    • EN300-745644
    • AKOS004117330
    • SY109737
    • DTXSID00400506
    • MDL： MFCD05864810
    • Inchi： 1S/C11H8N2O2/c14-11(15)9-3-1-2-8(4-9)10-5-12-7-13-6-10/h1-7H,(H,14,15)
    • InChI Key： URQRFVRGUHUTMI-UHFFFAOYSA-N
    • SMILES： O=C(C1C=C(C2C=NC=NC=2)C=CC=1)O

Computed Properties

  • Exact Mass: 200.05900
  • Monoisotopic Mass: 200.059
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 227
  • 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: 1.9
  • Topological Polar Surface Area: 63.1

Experimental Properties

  • Density: 1.302
  • Boiling Point: 442.3°C at 760 mmHg
  • Flash Point: 221.3°C
  • Refractive Index: 1.619
  • PSA: 63.08000
  • LogP: 1.84180

3-Pyrimidin-5-yl-benzoic acid Security Information

3-Pyrimidin-5-yl-benzoic acid Customs Data

  • HS CODE：2933599090
  • Customs Data：

    China Customs Code:

    2933599090

    Overview:

    2933599090. Other compounds with pyrimidine ring in structure(Including other compounds with piperazine ring on the structure. 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:

    2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

3-Pyrimidin-5-yl-benzoic acid Pricemore >>

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Chemenu
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3-Pyrimidin-5-yl-benzoic acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Tripotassium phosphate Catalysts: Dichlorobis(triphenylphosphine)palladium Solvents: 1,4-Dioxane ,  Water ;  16 - 20 h, 95 °C
Reference
A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design
Akhter, Sundus; Lund, Bjarte Aarmo ; Ismael, Aya; Langer, Manuel; Isaksson, Johan; et al, European Journal of Medicinal Chemistry, 2018, 145, 634-648

3-Pyrimidin-5-yl-benzoic acid Raw materials

3-Pyrimidin-5-yl-benzoic acid Preparation Products

3-Pyrimidin-5-yl-benzoic acid Related Literature

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