Cas no 819850-14-1 (2-methyl-3-(pyrimidin-2-yl)propanoic acid)

2-Methyl-3-(pyrimidin-2-yl)propanoic acid is a heterocyclic carboxylic acid derivative featuring a pyrimidine moiety, which imparts unique reactivity and structural versatility. Its molecular framework makes it a valuable intermediate in pharmaceutical and agrochemical synthesis, particularly for constructing biologically active compounds. The presence of both the pyrimidine ring and carboxylic acid group allows for diverse functionalization, enabling applications in drug discovery and material science. This compound exhibits favorable stability under standard conditions, facilitating handling and storage. Its structural features also suggest potential utility in coordination chemistry and as a ligand precursor. The balanced lipophilicity and polarity of the molecule enhance its suitability for medicinal chemistry applications.
2-methyl-3-(pyrimidin-2-yl)propanoic acid structure
819850-14-1 structure
Product Name:2-methyl-3-(pyrimidin-2-yl)propanoic acid
CAS No:819850-14-1
MF:C8H10N2O2
MW:166.177201747894
MDL:MFCD06796204
CID:721160
PubChem ID:42614418
Update Time:2025-11-07

2-methyl-3-(pyrimidin-2-yl)propanoic acid Chemical and Physical Properties

Names and Identifiers

    • 2-Pyrimidinepropanoicacid, a-methyl-
    • 2-METHYL-3-PYRIMIDIN-2-YL PROPIONIC ACID
    • 2-methyl-3-pyrimidin-2-ylpropanoic acid
    • 2-methyl-3-Pyrimidin-2-yl-Propionic Acid
    • 2-Pyrimidinepropanoicacid,a-methyl
    • 2-methyl-3-(pyrimidin-2-yl)propanoic acid
    • DTXSID20655112
    • 819850-14-1
    • 2-METHYL-3-(PYRIMIDIN-2-YL)PROPANOICACID
    • CS-0455999
    • W18320
    • CHEBI:190085
    • AKOS005254374
    • EN300-1852575
    • SB56585
    • PD020336
    • AS-62759
    • MFCD06796204
    • FT-0760395
    • SCHEMBL18906040
    • STL554331
    • BBL100537
    • DB-075803
    • MDL： MFCD06796204
    • Inchi： 1S/C8H10N2O2/c1-6(8(11)12)5-7-9-3-2-4-10-7/h2-4,6H,5H2,1H3,(H,11,12)
    • InChI Key： MUBSMKHUHLQYNZ-UHFFFAOYSA-N
    • SMILES： OC(C(C)CC1N=CC=CN=1)=O

Computed Properties

  • Exact Mass: 166.07400
  • Monoisotopic Mass: 166.074
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 155
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 63.1A^2
  • XLogP3: 0.6

Experimental Properties

  • Density: 1.215
  • Boiling Point: 305.1 °C at 760 mmHg
  • Flash Point: 138.3 °C
  • Refractive Index: 1.538
  • PSA: 63.08000
  • LogP: 0.73980

2-methyl-3-(pyrimidin-2-yl)propanoic 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%

2-methyl-3-(pyrimidin-2-yl)propanoic acid Pricemore >>

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