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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

Benzoic acid, 4-(3-hydroxy-3-methyl-1-butynyl)-, methyl ester

COC(=O)c1ccc(cc1)C#CC(O)(C)C Request for Quotation
Chemical Name: Benzoic acid, 4-(3-hydroxy-3-methyl-1-butynyl)-, methyl ester
CAS Number: 33577-98-9
Product Number: AG00BYJE(AGN-PC-0JTQ6K)
Synonyms:
MDL No:
Molecular Formula: C13H14O3
Molecular Weight: 218.2485

Identification/Properties

Computed Properties
Molecular Weight:
218.252g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
218.094g/mol
Monoisotopic Mass:
218.094g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
311
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

NMR Spectrum

Other Analytical Data

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Chemical Structure


Benzoic acid, 4-(3-hydroxy-3-methyl-1-butyn-1-yl)-, methyl ester is a versatile organic compound widely utilized in chemical synthesis. Due to its unique structure and reactivity, this compound serves as a valuable building block in various synthetic processes. In chemical synthesis, Benzoic acid, 4-(3-hydroxy-3-methyl-1-butyn-1-yl)-, methyl ester can be employed as a key intermediate in the production of pharmaceuticals, agrochemicals, and specialty chemicals. Its presence in synthetic pathways enables the formation of complex molecular structures with specific functionalities. This compound can participate in various reactions such as esterifications, hydrogenations, and alkylations, contributing to the diversification of chemical libraries.Furthermore, Benzoic acid, 4-(3-hydroxy-3-methyl-1-butyn-1-yl)-, methyl ester plays a crucial role in the development of advanced materials and compounds with tailored properties. Its incorporation in polymer synthesis, for instance, can lead to the production of materials with enhanced mechanical strength, thermal stability, or biocompatibility. This compound's ability to modulate chemical properties makes it a valuable asset in the field of materials science.Overall, Benzoic acid, 4-(3-hydroxy-3-methyl-1-butyn-1-yl)-, methyl ester is a versatile and indispensable component in chemical synthesis, offering countless opportunities for innovation and discovery.