Tricyclo[3.3.1.13,7]decane-1-acetic acid, 3-bromo-


Chemical Name: Tricyclo[3.3.1.13,7]decane-1-acetic acid, 3-bromo-
CAS Number: 17768-34-2
Product Number: AG0025G8(AGN-PC-0JV60S)
Synonyms:
MDL No:
Molecular Formula: C12H17BrO2
Molecular Weight: 273.1662

Identification/Properties


Properties
MP:
194-200℃
Form:
Solid
Computed Properties
Molecular Weight:
273.17g/mol
XLogP3:
3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
272.041g/mol
Monoisotopic Mass:
272.041g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
299
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
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-(3-Bromoadamantan-1-yl)acetic acid, a versatile chemical compound, finds significant application in the realm of chemical synthesis. As a key building block in organic synthesis, this compound serves as a valuable intermediate for the preparation of various complex molecules and pharmaceutical compounds. Its unique structure, combining the stability of the adamantane scaffold with the reactivity of the acetic acid moiety, allows for precise manipulation and functionalization in synthetic pathways. By incorporating 2-(3-Bromoadamantan-1-yl)acetic acid as a starting material, chemists can efficiently introduce bromine functionality into target molecules, enabling further diversification and modification to generate novel chemical entities with tailored properties. This compound's role in chemical synthesis extends across diverse areas such as medicinal chemistry, material science, and agrochemical developments, showcasing its versatility and importance in advancing scientific research and innovation.