1,2-Benzenedicarboxylic acid, mono(phenylmethyl) ester


Chemical Name: 1,2-Benzenedicarboxylic acid, mono(phenylmethyl) ester
CAS Number: 2528-16-7
Product Number: AG003TRJ(AGN-PC-0LO0D0)
Synonyms:
MDL No:
Molecular Formula: C15H12O4
Molecular Weight: 256.2534

Identification/Properties


Properties
MP:
106 °C
BP:
441.07 °C at 760 mmHg
Storage:
2-8℃;
Form:
Solid
Refractive Index:
1.4872 (estimate)
Computed Properties
Molecular Weight:
256.257g/mol
XLogP3:
3.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
256.074g/mol
Monoisotopic Mass:
256.074g/mol
Topological Polar Surface Area:
63.6A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
320
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H319
Precautionary Statements:
P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



2-((Benzyloxy)carbonyl)benzoic acid, also known as benzyloxycarbonyl benzoic acid, is a versatile compound widely used in chemical synthesis as a protecting group for carboxylic acids. During the synthesis of complex molecules, such as pharmaceuticals or natural products, certain functional groups need to be protected temporarily to prevent unwanted reactions, and benzyloxycarbonyl benzoic acid serves this purpose effectively.By selectively reacting with the carboxylic acid group of a molecule, benzyloxycarbonyl benzoic acid forms a stable covalent bond, protecting the functionality of the acid from undesired side reactions. This protection allows chemists to carry out subsequent transformations on other parts of the molecule without affecting the carboxylic acid group, ensuring the synthesis proceeds smoothly and in a controlled manner.Once the desired chemical reactions are completed, the protective group can be easily removed under specific conditions, regenerating the free carboxylic acid group in the final product. This flexibility and ease of removal make benzyloxycarbonyl benzoic acid a valuable tool in organic synthesis for the construction of complex molecules with precise control over functional group manipulation.