1,1-Diethoxyhex-2-yne
Names and Identifiers of 1,1-Diethoxyhex-2-yne
CAS Number |
18229-78-2 |
|---|---|
EC Number |
242-110-3 |
MDL Number |
MFCD00041643 |
IUPAC Name |
1,1-diethoxyhex-2-yne |
InChI |
InChI=1S/C10H18O2/c1-4-7-8-9-10(11-5-2)12-6-3/h10H,4-7H2,1-3H3 |
InChIKey |
VUNHOKCOJYJVBT-UHFFFAOYSA-N |
Canonical SMILES |
CCCC#CC(OCC)OCC |
UNSPSC Code |
12352100 |
Physical and chemical properties of 1,1-Diethoxyhex-2-yne
Boiling Point |
226.6ºC at 760mmHg |
|---|---|
Density |
0.885 |
Exact Mass |
170.13100 |
Flash Point |
73ºC |
H Bond Acceptors |
2 |
H Bond Donors |
0 |
Index of Refraction |
1.431 |
LogP |
2.18900 |
Molecular Formula |
C10H18O2 |
Molecular Weight |
170.24900 |
PSA |
18.46000 |
Vapour Pressure |
0.122mmHg at 25°C |
Safety Information of 1,1-Diethoxyhex-2-yne
Applications of 1,1-Diethoxyhex-2-yne
This compound finds utility in several fields:
- Organic Synthesis: It serves as an intermediate for creating more complex organic molecules.
- Medicinal Chemistry: Researchers explore its potential in developing new pharmaceuticals.
- Material Science: It is utilized in producing new materials with specific characteristics, such as polymers and coatings.
Interaction Studies of 1,1-Diethoxyhex-2-yne
The interaction mechanism of 1,1-Diethoxyhex-2-yne involves its alkyne group participating in covalent bonding reactions with nucleophiles. The ethoxy groups may undergo hydrolysis or substitution reactions, leading to various derivatives. These interactions can significantly influence the compound's reactivity and potential applications.
Similar Compounds: ComparisonSeveral compounds share structural similarities with 1,1-Diethoxyhex-2-yne:
| Compound Name | Structural Features | Unique Aspects |
|---|---|---|
| 1,1-Diethoxybut-2-yne | Shorter carbon chain | Less complex reactivity |
| 1,1-Diethoxy-3-hexyne | Alkyne group at a different position | Different physical properties |
| 2-Hexyn-1-ol | Contains a hydroxyl group instead of ethoxy | Exhibits different reactivity patterns |
Biological Activity of 1,1-Diethoxyhex-2-yne
Research into the biological activities of 1,1-Diethoxyhex-2-yne is ongoing. Its potential medicinal chemistry applications suggest that it may interact with specific molecular targets due to its alkyne group. Such interactions might lead to the formation of new compounds with distinct biological properties.
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