CAS 87847-91-4

5-Pyrimidinecarboxylic acid, 2,4,6-tris(diphenylmethoxy)-, methyl ester

Description:

5-Pyrimidinecarboxylic acid, 2,4,6-tris(diphenylmethoxy)-, methyl ester, identified by CAS number 87847-91-4, is an organic compound characterized by its pyrimidine ring structure, which is a six-membered heterocyclic aromatic ring containing two nitrogen atoms at positions 1 and 3. This compound features a carboxylic acid functional group that has been esterified with methanol, resulting in a methyl ester. The presence of three diphenylmethoxy groups contributes to its complex structure, enhancing its lipophilicity and potentially influencing its solubility and reactivity. The compound may exhibit interesting biological activities due to the pyrimidine core, which is often found in various pharmaceuticals and agrochemicals. Its physical properties, such as melting point, boiling point, and solubility, would depend on the specific interactions of the functional groups and the overall molecular structure. Additionally, the compound's stability and reactivity can be influenced by the steric and electronic effects of the diphenylmethoxy substituents.

Formula: C₄₅H₃₆N₂O₅

InChI: InChI=1S/C45H36N2O5/c1-49-44(48)38-42(50-39(32-20-8-2-9-21-32)33-22-10-3-11-23-33)46-45(52-41(36-28-16-6-17-29-36)37-30-18-7-19-31-37)47-43(38)51-40(34-24-12-4-13-25-34)35-26-14-5-15-27-35/h2-31,39-41H,1H3

InChI key: IWMOSUNJVFXVCU-UHFFFAOYSA-N

SMILES: COC(=O)C1=C(N=C(N=C1OC(C2=CC=CC=C2)C3=CC=CC=C3)OC(C4=CC=CC=C4)C5=CC=CC=C5)OC(C6=CC=CC=C6)C7=CC=CC=C7

Methyl 2,4,6-tris(benzhydryloxy)pyrimidine-5-carboxylate

CAS: 87847-91-4

Formula: C₄₅H₃₆N₂O₅

Molecular weight: 684.7777

Ref: IN-DA004EKZ