4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoic acid


Chemical Name: 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoic acid
CAS Number: 102121-60-8
Product Number: AG0006OE(AGN-PC-0JK64Q)
Synonyms:
MDL No: MFCD00673916
Molecular Formula: C22H25NO3
Molecular Weight: 351.4388

Identification/Properties


Computed Properties
Molecular Weight:
351.446g/mol
XLogP3:
5.4
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
351.183g/mol
Monoisotopic Mass:
351.183g/mol
Topological Polar Surface Area:
66.4A^2
Heavy Atom Count:
26
Formal Charge:
0
Complexity:
546
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:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



4-[[(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)carbonyl]amino]benzoic acid, also known as $name$, plays a crucial role in chemical synthesis as a versatile building block. This compound serves as a key intermediate in the preparation of various pharmaceuticals, agrochemicals, and specialty chemicals. Its unique structure allows for the introduction of functional groups and modifications, making it highly valuable in the synthesis of complex organic molecules.In chemical synthesis, $name$ serves as a starting material for the construction of diverse organic scaffolds. Its functional groups enable selective transformations, including amide bond formation, aromatic substitutions, and cyclization reactions. By strategically modifying the structure of $name$, chemists can access a wide range of analogs and derivatives with tailored properties.Additionally, the presence of the tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl moiety in $name$ provides stereochemical control in synthesis, allowing for the creation of chiral compounds with high enantioselectivity. This feature is particularly valuable in the preparation of bioactive molecules and pharmaceutical intermediates where stereochemistry plays a crucial role in activity and selectivity.Overall, the strategic use of 4-[[(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)carbonyl]amino]benzoic acid in chemical synthesis offers a powerful tool for organic chemists to design and access complex molecules with precise control over structure and function.