Methyl 6-oxospiro[3.3]heptane-2-carboxylate
- Product Name
- Methyl 6-oxospiro[3.3]heptane-2-carboxylate
- CAS No.
- 1138480-98-4
- Chemical Name
- Methyl 6-oxospiro[3.3]heptane-2-carboxylate
- Synonyms
- Methyl 6-oxospiro[3.3]hep...;Methyl 6-oxospiro[3.3]heptane-2-carboxylate;methyl 2-oxospiro[3.3]heptane-6-carboxylate;Methyl 6-oxospiro[3.3]heptane-2-carboxylate 97%;Methyl 6-oxospiro[3.3]heptane-2-carboxylate - M7180;6-oxo-Spiro[3.3]heptane-2-carboxylic acid methyl ester;Spiro[3.3]heptane-2-carboxylic acid, 6-oxo-, methyl ester
- CBNumber
- CB12597215
- Molecular Formula
- C9H12O3
- Formula Weight
- 168.19
- MOL File
- 1138480-98-4.mol
Methyl 6-oxospiro[3.3]heptane-2-carboxylate Property
- Boiling point:
- 259.9±40.0 °C(Predicted)
- Density
- 1.18±0.1 g/cm3(Predicted)
- storage temp.
- 2-8°C
- Appearance
- Colorless to light yellow Liquid
- InChI
- InChI=1S/C9H12O3/c1-12-8(11)6-2-9(3-6)4-7(10)5-9/h6H,2-5H2,1H3
- InChIKey
- KPVYGLFZWUGNOJ-UHFFFAOYSA-N
- SMILES
- C1C2(CC(=O)C2)CC1C(OC)=O
Safety
- HS Code
- 2918999090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P270Do not eat, drink or smoke when using this product.
P271Use only outdoors or in a well-ventilated area.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P312Call a POISON CENTER or doctor/physician if you feel unwell.
P321Specific treatment (see … on this label).
P330Rinse mouth.
P332+P313IF SKIN irritation occurs: Get medical advice/attention.
P337+P313IF eye irritation persists: Get medical advice/attention.
P362Take off contaminated clothing and wash before reuse.
P403+P233Store in a well-ventilated place. Keep container tightly closed.
P405Store locked up.
P501Dispose of contents/container to..…
N-Bromosuccinimide Price
- Product number
- M330533
- Product name
- Methyl6-Oxospiro[3.3]heptane-2-carboxylate
- Packaging
- 50mg
- Price
- $60
- Updated
- 2021/12/16
- Product number
- CS-0048921
- Product name
- Methyl6-oxospiro[3.3]heptane-2-carboxylate
- Packaging
- 250mg
- Price
- $90
- Updated
- 2021/12/16
- Product number
- M7180
- Product name
- Methyl6-oxospiro[3.3]heptane-2-carboxylate
- Purity
- 97.0%
- Packaging
- 250mg
- Price
- $95
- Updated
- 2021/12/16
- Product number
- 2229-1-37
- Product name
- Methyl 6-oxospiro[3.3]heptane-2-carboxylate
- Packaging
- 250mg
- Price
- $175
- Updated
- 2021/12/16
- Product number
- CS-0048921
- Product name
- Methyl6-oxospiro[3.3]heptane-2-carboxylate
- Packaging
- 1g
- Price
- $180
- Updated
- 2021/12/16
Methyl 6-oxospiro[3.3]heptane-2-carboxylate Chemical Properties,Usage,Production
Synthesis
15963-40-3
76-02-8
1138480-98-4
To a solution of methyl acetate (45 mL) of methyl 3-methylenecyclobutanecarboxylate (Intermediate 43A) was added copper powder (2.77 g, 43.6 mmol) and zinc powder (5.70 g, 87 mmol). A solution of trichloroacetyl chloride (4.86 mL, 43.6 mmol) and trichlorophosphorus oxide (0.37 mL, 4.0 mmol) in methyl acetate (45 mL) was added dropwise to the mixture over a period of 2 hours. After 3 hours of reaction, the mixture was cooled to 0°C, additional zinc powder (5.70 g, 87 mmol) was added, and then acetic acid (22.7 mL, 400 mmol) was added dropwise at a rate that kept the temperature below 7°C. The reaction mixture was allowed to warm slowly to room temperature, stirred overnight and then filtered through Celite and rinsed with EtOAc. The filtrate was carefully washed with saturated aqueous NaHCO3 (2 x 200 mL) (note: gases will be released) and the aqueous layer was extracted with 1:1 EtOAc:Et2O (2 x 100 mL). The combined organic layers were dried over MgSO4, filtered and concentrated. The residue was purified by silica gel column chromatography using a 0%-50% EtOAc-hexane gradient elution. The grades containing the target product were combined, the solvent evaporated under reduced pressure and dried under vacuum to afford methyl 6-oxospiro[3.3]heptane-2-carboxylate (4.10 g, 61% yield) as a yellow oil.1H NMR (400 MHz, CDCl3) δ 2.38-2.48 (m, 2H), 2.50-2.61 (m, 2H), 3.00-3.09 (m, 2H), 3.09-3.22 (m, 3H), 3.68 (s, 3H).
References
[1] Patent: WO2018/69863, 2018, A1. Location in patent: Page/Page column 153
Methyl 6-oxospiro[3.3]heptane-2-carboxylate Preparation Products And Raw materials
Raw materials
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