Cas no 223126-96-3 ([1,1'-Biphenyl]-4-carboxylicacid, 3'-(hydroxymethyl)-, methyl ester)

[1,1'-Biphenyl]-4-carboxylic acid, 3'-(hydroxymethyl)-, methyl ester is a biphenyl derivative featuring a carboxylic acid methyl ester at the 4-position and a hydroxymethyl group at the 3'-position. This compound is valued for its versatile reactivity, serving as a key intermediate in organic synthesis, particularly in the preparation of pharmaceuticals and fine chemicals. The hydroxymethyl group offers a functional handle for further derivatization, while the ester moiety enhances solubility and facilitates downstream transformations. Its rigid biphenyl core contributes to structural stability, making it useful in designing molecular scaffolds. The compound is typically handled under standard laboratory conditions, ensuring compatibility with a range of synthetic protocols.
[1,1'-Biphenyl]-4-carboxylicacid, 3'-(hydroxymethyl)-, methyl ester structure
223126-96-3 structure
Product Name:[1,1'-Biphenyl]-4-carboxylicacid, 3'-(hydroxymethyl)-, methyl ester
CAS No:223126-96-3
MF:C15H14O3
MW:242.269864559174
CID:244479
PubChem ID:1392389
Update Time:2025-05-28

[1,1'-Biphenyl]-4-carboxylicacid, 3'-(hydroxymethyl)-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • [1,1'-Biphenyl]-4-carboxylicacid, 3'-(hydroxymethyl)-, methyl ester
    • METHYL 4-(3-HYDROXYMETHYLPHENYL)BENZOATE
    • AC1LRC8J
    • AG-E-63017
    • CTK4E9169
    • Methyl 3'-(hydroxymethyl)[1,1'-biphenyl]-4-carboxylate
    • methyl 3'-(hydroxymethyl)biphenyl-4-carboxylate
    • methyl 3'-hydroxymethylbiphenyl-4-carboxylate
    • SureCN6714949
    • 223126-96-3
    • Methyl3'-(hydroxymethyl)-[1,1'-biphenyl]-4-carboxylate
    • Methyl 3'-(hydroxymethyl)bi-phenyl-4-carboxylate
    • DTXSID60362616
    • Methyl 4-[3-(hydroxymethyl)phenyl]benzoate
    • AOLDHHIJNRNIEB-UHFFFAOYSA-N
    • BB 0223693
    • AKOS004118947
    • SCHEMBL6714949
    • Methyl 3'-(hydroxymethyl)-[1,1'-biphenyl]-4-carboxylate
    • MDL: MFCD05979035
    • Inchi: 1S/C15H14O3/c1-18-15(17)13-7-5-12(6-8-13)14-4-2-3-11(9-14)10-16/h2-9,16H,10H2,1H3
    • InChI Key: AOLDHHIJNRNIEB-UHFFFAOYSA-N
    • SMILES: OCC1=CC=CC(=C1)C1C=CC(C(=O)OC)=CC=1

Computed Properties

  • Exact Mass: 242.094
  • Monoisotopic Mass: 242.094
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 269
  • 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: 2.5
  • Topological Polar Surface Area: 46.5?2

Experimental Properties

  • PSA: 46.53000
  • LogP: 2.63250

[1,1'-Biphenyl]-4-carboxylicacid, 3'-(hydroxymethyl)-, methyl ester Pricemore >>

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