187836

1,3-Dimethyladamantane

≥99%

• Synonym(s): 1,3-Dimethyltricyclo[3.3.1.1^3,7]decane
• Empirical Formula (Hill Notation): C₁₂H₂₀
• CAS Number: 702-79-4
• Molecular Weight: 164.29
• EC Number: 211-870-8
• MDL number: MFCD00074755
• UNSPSC Code: 12352100
• PubChem Substance ID: 24851287
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: ≥99%
• form: liquid
• refractive index: n20/D 1.478 (lit.)
• density: 0.886 g/mL at 25 °C (lit.)
• SMILES string: C[C@]12C[C@@H]3C[C@H](C1)C[C@@](C)(C3)C2
• InChI: 1S/C12H20/c1-11-4-9-3-10(5-11)7-12(2,6-9)8-11/h9-10H,3-8H2,1-2H3/t9-,10+,11-,12+
• InChI key: CWNOIUTVJRWADX-BKUVIOGVSA-N

Description

General description

1,3-Dimethyladamantane undergoes C-H insertion reaction with phenylchlorocarbene. It reacts with with molecular oxygen in the presence of N-hydroxyphthalimide combined with cobalt salts to yield 3,5-dimethyladamantan-1-ol and 5,7-dimethyladamantane-1,3-diol.

Application

1,3-Dimethyladamantane was used in the synthesis of 1,3-dibromo-5,7-dimethyladamantane.

Safety Information

• Pictograms: GHS02
• Signal Word: Warning
• Hazard Statements: H226
• Precautionary Statements: P210 - P233 - P240 - P241 - P242 - P243
• Hazard Classifications: Flam. Liq. 3
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 3
• Flash Point(F): 127.4 °F - closed cup
• Flash Point(C): 53 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves