1,2,3,4,5-Pentamethylcyclopentadiene
Synonym(s):1,2,3,4,5-Pentamethylcyclopentadiene
- CAS NO.：4045-44-7
- Empirical Formula: C10H16
- Molecular Weight: 136.23
- MDL number: MFCD00001354
- EINECS: 223-743-4
- SAFETY DATA SHEET (SDS)
- Update Date: 2026-01-13 11:25:26
What is 1,2,3,4,5-Pentamethylcyclopentadiene?
Chemical properties
clear colorless to yellowish liquid
The Uses of 1,2,3,4,5-Pentamethylcyclopentadiene
1,2,3,4,5-Pentamethylcyclopentadiene serves as a precursor to the ligand 1,2,3,4,5-pentamethylcyclopentadienyl. It is used as a growth modifier chemical, during metal organic chemical vapor deposition of iron from iron pentacarbonyl. It is used as a ligand in "one-pot" iridium-catalyzed transformation of alcohols to amides. Further, it acts as an electron mediator in the regeneration process of nicotinamide adenine dinucleotide. In addition to this, it undergoes radical cation catalyzed cycloaddition reaction with allenes to get Diels-Alder product.
General Description
Mechanism of the Diels-Alder reaction of paramagneticendohedral metallofullerene and 1,2,3,4,5-pentamethylcyclopentadiene has been studied. Three-step large-scale preparation of 1,2,3,4,5-pentamethylcyclopentadiene has been reported. Reaction of 1,2,3,4,5-pentamethylcyclopentadiene (HCp*) with actinide ions in gas phase has been investigated by laser ablation mass spectrometry. It undergoes radical cation catalyzed cycloaddition with electron rich allenes to form Diels-Alder product.
Properties of 1,2,3,4,5-Pentamethylcyclopentadiene
| Boiling point: | 58 °C13 mm Hg(lit.) |
| Density | 0.87 g/mL at 25 °C(lit.) |
| refractive index | n |
| Flash point: | 112 °F |
| storage temp. | Store below +30°C. |
| form | Liquid |
| color | Clear colorless to yellow-orange, may darken on storage |
| Specific Gravity | 0.87 |
| Water Solubility | Miscible with methanol. dichloromethane and ethyl acetate. Slightly miscible with water. |
| Sensitive | Light Sensitive |
| BRN | 1849832 |
| Stability: | store cold |
| CAS DataBase Reference | 4045-44-7(CAS DataBase Reference) |
| NIST Chemistry Reference | 1,3-Cyclopentadiene, 1,2,3,4,5-pentamethyl-(4045-44-7) |
Safety information for 1,2,3,4,5-Pentamethylcyclopentadiene
| Signal word | Warning |
| Pictogram(s) |
 Flame Flammables GHS02 |
| GHS Hazard Statements |
H226:Flammable liquids |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P242:Use only non-sparking tools. P243:Take precautionary measures against static discharge. |
Computed Descriptors for 1,2,3,4,5-Pentamethylcyclopentadiene
New Products
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