Methyl 2-oxocyclohexanecarboxylate
- CAS No.
- 41302-34-5
- Chemical Name:
- Methyl 2-oxocyclohexanecarboxylate
- Synonyms
- AKOS 350;2-METHOXYCARBONYLCYCLOHEXANON;2-METHOXYCARBONYLCYCLOHEXANONE;Methyl 2-cyclohexanonecarboxylate;Methyl 2-oxocyclohexylcarboxylate;METHYL CYCLOHEXANONE-2-CARBOXYLATE;METHYL 2-OXOCYCLOHEXANECARBOXYLATE;methyl 2-oxocyclohexane-1-carboxylate;Methyl 2-oxo--1-cyclohexanecarboxylate;Methyl 2-oxocyclohexanecarboxylate,90%
- CBNumber:
- CB4458515
- Molecular Formula:
- C8H12O3
- Molecular Weight:
- 156.18
- MOL File:
- 41302-34-5.mol
- MSDS File:
- SDS
- Modify Date:
- 2025/1/27 9:38:02
| Boiling point | 50 °C/0.2 mmHg (lit.) |
|---|---|
| Density | 1.10 g/mL at 20 °C (lit.) |
| refractive index |
n |
| Flash point | 85 °C |
| storage temp. | Inert atmosphere,Store in freezer, under -20°C |
| form | Liquid |
| pka | 12.04±0.20(Predicted) |
| color | Clear colorless to slightly yellow |
| BRN | 510258 |
| InChI | InChI=1S/C8H12O3/c1-11-8(10)6-4-2-3-5-7(6)9/h6H,2-5H2,1H3 |
| InChIKey | JEENWEAPRWGXSG-UHFFFAOYSA-N |
| SMILES | C1(C(OC)=O)CCCCC1=O |
| LogP | 0.290 (est) |
| EPA Substance Registry System | Cyclohexanecarboxylic acid, 2-oxo-, methyl ester (41302-34-5) |
SAFETY
Risk and Safety Statements
| Safety Statements | 23-24/25 |
|---|---|
| RIDADR | NA 1993 / PGIII |
| WGK Germany | 3 |
| HS Code | 29183000 |
Methyl 2-oxocyclohexanecarboxylate price More Price(2)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich(India) | 29162 | Methyl 2-oxocyclohexanecarboxylate technical, ≥90% (GC) | 41302-34-5 | 10ML | ₹20675.75 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | 29162 | Methyl 2-oxocyclohexanecarboxylate technical, ≥90% (GC) | 41302-34-5 | 50ML | ₹50054.8 | 2022-06-14 | Buy |
Methyl 2-oxocyclohexanecarboxylate Chemical Properties,Uses,Production
Chemical Properties
clear colorless to slightly yellow liquid
Uses
Methyl 2-Oxocyclohexanecarboxylate is a novel intermediate for the preparation of TRPA1 antagonists for treatment of pain and other TRPA1-associated diseases.
Synthesis Reference(s)
Journal of the American Chemical Society, 102, p. 431, 1980 DOI: 10.1021/ja00521a100
Organic Syntheses, Coll. Vol. 7, p. 351, 1990
Synthesis
The flask is flushed with nitrogen and charged with 18.02 g (0.20 mol) of dimethyl carbonate, 50 mL of anhydrous tetrahydrofuran, and 6.12 g (0.25 mol) of sodium hydride. The suspension is stirred and heated to reflux temperature, at which time the slow, dropwise addition of 7.80 g (0.080 mol) of cyclohexanone in 20 mL of dry tetrahydrofuran is begun. After 2 min, 0.306 g (0.0076 mol) of powdered potassium hydride is added to initiate the reaction. The addition of cyclohexanone is continued over a 1-hr period. The mixture is stirred and heated at reflux for another 30 min, cooled in an ice bath for 15–20 min, and hydrolyzed by slowly adding 75 mL of 3 M aqueous acetic acid. The flask's contents are poured into 100 mL of aqueous sodium chloride, and the aqueous mixture is extracted with four 150-mL portions of chloroform. The organic layers are combined, dried with anhydrous sodium sulfate, and concentrated at room temperature with a rotary evaporator. Distillation of the residual liquid under reduced pressure gives 9.8–10.8 g (79–87%) of methyl 2-oxocyclohexanecarboxylate as a colorless liquid, bp 53–55°C.
Methyl 2-oxocyclohexanecarboxylate Preparation Products And Raw materials
Raw materials
Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | Inquiry |
|---|---|---|---|---|---|
| Vijayasai Lifesciences | +91 9347036508 | AndhraPradesh, India | 54 | 58 | Inquiry |
| TRUE LABS | +91-9948900000 +91-8919325074 | Telangana, India | 161 | 58 | Inquiry |
| TRUE LABS | +91-8919325074 +91-8919325074 | Telangana, India | 160 | 58 | Inquiry |
| A.J Chemicals | 91-9810153283 | New Delhi, India | 6100 | 58 | Inquiry |
| CLEARSYNTH LABS LTD. | +91-22-45045900 | Hyderabad, India | 6257 | 58 | Inquiry |
| CHEMSWORTH | +91-261-2397244 | New Delhi, India | 6700 | 30 | Inquiry |
| Alfa Aesar | 1 800 209 7001 | Maharashtra, India | 6905 | 58 | Inquiry |
| Nilkanth Organics | 08048980314 | Mumbai, India | 118 | 58 | Inquiry |
| Hubei Lidu New Material Technology Co., Ltd | +undefined+86-19307248857 | China | 980 | 58 | Inquiry |
| Henan Fengda Chemical Co., Ltd | +86-371-86557731 +86-13613820652 | China | 20235 | 58 | Inquiry |
| Supplier | Advantage |
|---|---|
| Vijayasai Lifesciences | 58 |
| TRUE LABS | 58 |
| TRUE LABS | 58 |
| A.J Chemicals | 58 |
| CLEARSYNTH LABS LTD. | 58 |
| CHEMSWORTH | 30 |
| Alfa Aesar | 58 |
| Nilkanth Organics | 58 |
| Hubei Lidu New Material Technology Co., Ltd | 58 |
| Henan Fengda Chemical Co., Ltd | 58 |
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