5-Methoxy-3-oxovaleric acid methyl ester
- CAS No.
- 62462-05-9
- Chemical Name:
- 5-Methoxy-3-oxovaleric acid methyl ester
- Synonyms
- NAZAROV REAGENT;METHYL 5-METHOXY-3-OXOALERATE;METHYL 5-METHOXY-3-OXOVALERATE;METHYL 3-KETO-5-METHOXYVALERATE;METHYL 5-METHOXY-3-OXOPENTANOATE;Methyl5-Methoxy-3-oxovalerate>5-Methoxy-3-oxovaleric acid methyl ester;3-KETO-5-METHOXYVALERIC ACID METHYL ESTER;5-Methoxy-3-oxopentanoic acid methyl ester;M**5-METHOXY-3-OXOVALERIC ACID METHYL ESTER
- CBNumber:
- CB9761980
- Molecular Formula:
- C7H12O4
- Molecular Weight:
- 160.17
- MDL Number:
- MFCD00042840
- MOL File:
- 62462-05-9.mol
- MSDS File:
- SDS
| Boiling point | 56-57 °C/0.1 mmHg (lit.) |
|---|---|
| Density | 1.10 g/mL at 20 °C (lit.) |
| refractive index |
n |
| Flash point | 104 °C |
| storage temp. | Storage temp. 2-8°C |
| pka | 10.38±0.46(Predicted) |
| form | clear liquid |
| color | Colorless to Almost colorless |
| BRN | 2042099 |
| InChI | 1S/C7H12O4/c1-10-4-3-6(8)5-7(9)11-2/h3-5H2,1-2H3 |
| InChIKey | OPURNNHYTATPKM-UHFFFAOYSA-N |
| SMILES | COCCC(=O)CC(=O)OC |
| LogP | 0.497 (est) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H335 | |||||||||
| Precautionary statements | P280-P304+P340-P362+P364 | |||||||||
| PPE | Eyeshields, Gloves | |||||||||
| WGK Germany | 3 | |||||||||
| HS Code | 2918999090 | |||||||||
| Storage Class | 10 - Combustible liquids | |||||||||
| NFPA 704 |
|
5-Methoxy-3-oxovaleric acid methyl ester price More Price(23)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 65133 | Methyl 5-methoxy-3-oxovalerate technical, ≥85% (GC) | 62462-05-9 | 5ml | $275 | 2026-04-30 | Buy |
| TCI Chemical | M0812 | Methyl 5-Methoxy-3-oxovalerate >96.0%(GC) | 62462-05-9 | 1g | $243 | 2026-04-30 | Buy |
| TCI Chemical | M0812 | Methyl 5-Methoxy-3-oxovalerate >96.0%(GC) | 62462-05-9 | 5g | $969 | 2026-04-30 | Buy |
| Apolloscientific | OR952690 | 5-Methoxy-3-oxovaleric acid methyl ester 97% | 62462-05-9 | 100mg | $25 | 2026-06-04 | Buy |
| Apolloscientific | OR952690 | 5-Methoxy-3-oxovaleric acid methyl ester 97% | 62462-05-9 | 250mg | $30 | 2026-06-04 | Buy |
5-Methoxy-3-oxovaleric acid methyl ester Chemical Properties, Uses, Production
Uses
5-METHOXY-3-OXOVALERIC ACID METHYL ESTER is used as a precursor to the annulating agent and Nazarov's reagent.[1] It can function as an annulating agent under acidic reaction conditions.[2]
Synthesis Reference(s)
Synthesis, p. 622, 1979 DOI: 10.1055/s-1979-28786
Synthesis
2544-06-1
38330-80-2
62462-05-9
1. 3-Methoxypropionic acid (1.81 mL, 19.2 mmol) was suspended in anhydrous acetonitrile (80 mL) and stirred. 2. Methyl 5-methoxy-3-oxopentanoate (3.24 g, 20.0 mmol) was added in one portion and the reaction mixture was stirred at room temperature for 1.5 h. 3. A powdered mixture of magnesium chloride (1.57 g, 16.5 mmol) and potassium methyl malonate (4.5 g, 28.8 mmol) was added in one portion (note that CO2 gas was produced during the reaction). 4. The reaction mixture continued to be stirred at room temperature. 5. MgCl2 (1.57 g, 16.5 mmol) and potassium malonate monohydrate (4.5 g, 28.8 mmol) in a powdered mixture (note that CO2 gas is produced during the reaction). 4. Continue to stir the reaction mixture at room temperature. 5. Vacuum remove the volatiles, then add 2M hydrochloric acid (105 mL). 6. Stir the solution for 1 hour at room temperature, and then extract it with dichloromethane (3 x 100 mL). 7. Combine the organic phases, dry them with MgSO4, filter, and remove the solvents in vacuum. 8. dried, filtered and the solvent was removed in vacuum to afford the target product methyl 5-methoxy-3-oxovalerate (2.69 g, 87% yield).
References
[1] Patent: WO2016/83816, 2016, A1. Location in patent: Page/Page column 46
5-Methoxy-3-oxovaleric acid methyl ester Preparation Products And Raw materials
Raw materials
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Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| J & K SCIENTIFIC LTD. | 18210857532 18210857532 | jkinfo@jkchemical.com | China | 96815 | 76 |
| TCI (Shanghai) Development Co., Ltd. | 021-67121386 | Sales-CN@TCIchemicals.com | China | 24512 | 81 |
| Energy Chemical | 400-0056266 | sales8178@energy-chemical.com | China | 44850 | 61 |
| Shanghai Longsheng chemical Co.,Ltd. | 58099637 13585536065 | sales@shlschem.com | China | 9880 | 59 |
| Shanghai Hanhong Scientific Co.,Ltd. | 021-54306202 13764082696 | info@hanhongsci.com | China | 42917 | 64 |
| Wuhan Haizheng Industry & Trade Development Co. Ltd | 027-8866 0053/88660577/88660578 | China | 1070 | 55 | |
| Chengdu Forest Science and Technology Development Co., Ltd. | 18030648795 18030648795 | sales@cdforestchem.com | China | 1998 | 58 |
| Shanghai civi chemical technology co.,Ltd | 86-21-34053660 | sale@labgogo.com | China | 9853 | 52 |
| TOKYO CHEMICAL INDUSTRY CO., LTD. | 03-36680489 | Sales-JP@TCIchemicals.com | Japan | 28364 | 80 |
| TCI Europe | 320-37350700 | sales@tcieurope.eu | Europe | 23654 | 75 |
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