2,3,4,5-TETRAMETHYL-2-CYCLOPENTENONE
- CAS No.
- 54458-61-6
- Chemical Name:
- 2,3,4,5-TETRAMETHYL-2-CYCLOPENTENONE
- Synonyms
- 2-Cyclopenten-1-one, 2,3,4,5-tetramethyl-;2,3,4,5-TETRAMETHYLCYCLOPENT-2-ENONE;opentenone;Zinc02003168;Zinc02003169;Zinc02003171;Zinc02003172;2,3,4,5-TetramethyL;2,3,4,5-TETRAMETHYL-2-CYCLOPENTENONE;2,3,4,5-tetramethyl-2-cyclopentanone
- CBNumber:
- CB9325814
- Molecular Formula:
- C9H14O
- Molecular Weight:
- 138.21
- MOL File:
- 54458-61-6.mol
- MSDS File:
- SDS
- Modify Date:
- 2024/8/21 22:41:43
| Boiling point | 100 °C30 mm Hg(lit.) |
|---|---|
| Density | 0.927 g/mL at 20 °C(lit.) |
| refractive index |
n |
| Flash point | 164 °F |
| storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
| solubility | Chloroform, Methanol |
| form | Oil |
| color | Clear Colourless |
| Specific Gravity | 0.917 |
| Water Solubility | Not miscible with water. |
| BRN | 2324088 |
| InChI | InChI=1S/C9H14O/c1-5-6(2)8(4)9(10)7(5)3/h5,7H,1-4H3 |
| InChIKey | ARUAYSANQMCCEN-UHFFFAOYSA-N |
| SMILES | C1(=O)C(C)C(C)C(C)=C1C |
| CAS DataBase Reference | 54458-61-6(CAS DataBase Reference) |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H227 | |||||||||
| Precautionary statements | P210e-P280a-P370+P378a-P403+P235-P501a | |||||||||
| Safety Statements | 23-24/25-35-3/9/49-43-36-15 | |||||||||
| WGK Germany | 3 | |||||||||
| HS Code | 29142990 | |||||||||
| NFPA 704 |
|
2,3,4,5-TETRAMETHYL-2-CYCLOPENTENONE price More Price(4)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich(India) | 274658 | 2,3,4,5-Tetramethyl-2-cyclopentenone, mixture of cis and trans 95% | 54458-61-6 | 5G | ₹6300.15 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | 274658 | 2,3,4,5-Tetramethyl-2-cyclopentenone, mixture of cis and trans 95% | 54458-61-6 | 25G | ₹21671.65 | 2022-06-14 | Buy |
| ALFA India | ALF-L09617-14 | 2,3,4,5-Tetramethyl-2-cyclopentenone, cis + trans, 95% | 54458-61-6 | 25g | ₹20984 | 2022-05-26 | Buy |
| ALFA India | ALF-L09617-06 | 2,3,4,5-Tetramethyl-2-cyclopentenone, cis + trans, 95% | 54458-61-6 | 5g | ₹6293 | 2022-05-26 | Buy |
2,3,4,5-TETRAMETHYL-2-CYCLOPENTENONE Chemical Properties,Uses,Production
Uses
2,3,4,5-Tetramethyl-2-cyclopentenone can be used as organic synthesis intermediates and pharmaceutical intermediates, mainly used in laboratory research and development processes and chemical production processes.
Synthesis
In a bottom round flask equipped with a mechanical stirrer, a dropping funnel and a reflux condenser was loaded 2000g (23.2 mol) of the starting ketone with 75% w/w of butylacetate as the solvent, 0.35 molar equivalents of anhydrous magnesium chloride and the aforementioned titanium catalytic solution containing 0.06 molar equivalents of the trichloropropoxytitanium complex. The resulting suspension was stirred vigorously and allowed to heat to 90°C. Then 2 molar equivalents of the acetaldehyde were added dropwise over 3h at 90°C. The reaction was continued for an additional hour and cooled to 40°C. The reaction mixture was hydrolysed with a 10% aqueous acetic acid solution and neutralised with a 20% aqueous potassium carbonate solution. The resulting organic phase was directly fractionated into a laboratory Sulzer packed column, to afford the title compound, as a mixture of isomers trans:cis = 85:15, in 27 % yield and the enone (II) (i.e. 4-methyl-4-hexen-3-one) in 31 % yield. mixture of isomers trans:cis = (B.p. = 70-80°C at P = 8 mbar); 4-methyl-4-hexen-3-one = (B.p. = 45-65°C at P = 8 mbar). 1H-NMR (isomer trans): 1.15 (d 3H); 1.19 (d 3H); 1.68 (s 3H); 1.88 (m 1H); 1.98 (s 3H); 2.25 (m 1H). 13C-NMR (isomer trans): 8.5; 14.6; 15.1 ; 17.7; 46.2; 48.4; 134.5; 171.6; 21 1.0.
2,3,4,5-TETRAMETHYL-2-CYCLOPENTENONE Preparation Products And Raw materials
| Supplier | Tel | Country | ProdList | Advantage | Inquiry |
|---|---|---|---|---|---|
| BTC pharm India | +918790379245 | AndhraPradesh, India | 1269 | 58 | Inquiry |
| SREE SYNERIC LAB | +91-91-6383636810 +91-9884742764 | Tamil Nadu, India | 465 | 58 | Inquiry |
| I Chess Chemicals Pvt Ltd | +91-9819265500 | Maharashtra, India | 33 | 58 | Inquiry |
| Alfa Aesar | 1 800 209 7001 | Maharashtra, India | 6913 | 58 | Inquiry |
| CHEMSWORTH | +91-261-2397244 | New Delhi, India | 6707 | 30 | Inquiry |
| A.J Chemicals | 91-9810153283 | New Delhi, India | 6124 | 58 | Inquiry |
| Dayang Chem (Hangzhou) Co.,Ltd. | 571-88938639 +8617705817739 | China | 52861 | 58 | Inquiry |
| Springchem New Material Technology Co.,Limited | +86-021-62885108 +8613917661608 | China | 2068 | 57 | Inquiry |
| ZHEJIANG ESTCHEM CO.,LTD | 15957180504 | China | 193 | 58 | Inquiry |
| Junwee Chemical co., Ltd. | +86-571-85808636 +86-13958122542 | China | 821 | 58 | Inquiry |
| Supplier | Advantage |
|---|---|
| BTC pharm India | 58 |
| SREE SYNERIC LAB | 58 |
| I Chess Chemicals Pvt Ltd | 58 |
| Alfa Aesar | 58 |
| CHEMSWORTH | 30 |
| A.J Chemicals | 58 |
| Dayang Chem (Hangzhou) Co.,Ltd. | 58 |
| Springchem New Material Technology Co.,Limited | 57 |
| ZHEJIANG ESTCHEM CO.,LTD | 58 |
| Junwee Chemical co., Ltd. | 58 |
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- Synthesis and Application of 2, 3, 4, 5-Tetramethyl-2-Cyclopentenone
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- Nov 2，2022