CAS 135441-89-3

Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-2-(methyl-d3)-, (1R-exo)-

Description:

Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-2-(methyl-d3)-, (1R-exo)-, with CAS number 135441-89-3, is a bicyclic organic compound characterized by its unique bicyclic structure, which consists of a seven-membered ring system. The compound features a hydroxyl (-OH) group, indicating it is an alcohol, and the presence of multiple methyl groups contributes to its branched structure. The "1R-exo" designation refers to the specific stereochemistry of the molecule, indicating the orientation of substituents around the chiral center. The incorporation of deuterium (methyl-d3) suggests that some hydrogen atoms in the methyl group have been replaced with deuterium isotopes, which can be useful in studies involving isotopic labeling. This compound may exhibit interesting physical and chemical properties, such as solubility in organic solvents and potential applications in organic synthesis or as a chiral building block in pharmaceuticals. Its structural complexity and stereochemistry make it a subject of interest in both synthetic and medicinal chemistry.

Formula: C₁₁H₁₇D₃O

InChI: InChI=1S/C11H20O/c1-9(2)8-5-6-10(9,3)11(4,12)7-8/h8,12H,5-7H2,1-4H3/t8-,10-,11-/m1/s1/i4D3

InChI key: InChIKey=LFYXNXGVLGKVCJ-ZNLVLMOCSA-N

SMILES: C[C@@]12C(C)(C)[C@@](C[C@@]1([C@]([2H])([2H])[2H])O)(CC2)[H]

Synonyms:

• Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-2-(methyl-d3)-, (1R-exo)-

(-)-2-Methyl-d3-isoborneol

CAS: 135441-89-3, 68330-43-8

Purity: 99 atom % D

Color and Shape: White Solid

Molecular weight: 171.30

Ref: 3U-D6241

(-)-2-Methyl-Isoborneol-d3

CAS: 135441-89-3

Formula: C₁₁H₁₇D₃O

Molecular weight: 171.30

Ref: 4Z-B-159004

(-)-2-Methyl Isoborneol-d3

Controlled Product

CAS: 135441-89-3

Applications Isotope labelled (-)-2-Methylisoborneol (M314000), which is a derivative of Camphor (1) (C165805). (-)-2-Methylisoborneol is a flavor component of Robusta coffee responsible for the off-flavour aroma (2). Drinking water contaminant candidate list 3 (CCL 3) compound as per United States Environmental Protection Agency (EPA). Environmental contaminants; Food contaminants.
References 1. Money T. Nat Prod Rep. 1985 Jun;2(3):253-89.2. Blank I et al.: J Agric Food Chem. 2002 Jul 31;50(16):4653-6.

Formula: C₁₁₂H₃H₁₇O

Color and Shape: Neat

Molecular weight: 171.29

Ref: TR-M314002