Methyl 2-oxocyclohexanecarboxylate
- Product Name
- 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
- Formula Weight
- 156.18
- MOL File
- 41302-34-5.mol
Methyl 2-oxocyclohexanecarboxylate Property
- Boiling point:
- 50 °C/0.2 mmHg (lit.)
- Density
- 1.10 g/mL at 20 °C (lit.)
- refractive index
- n20/D 1.483
- 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
- Safety Statements
- 23-24/25
- RIDADR
- NA 1993 / PGIII
- WGK Germany
- 3
- HS Code
- 29183000
N-Bromosuccinimide Price
- Product number
- 29162
- Product name
- Methyl 2-oxocyclohexanecarboxylate
- Purity
- technical, ≥90% (GC)
- Packaging
- 10ml
- Price
- $381
- Updated
- 2023/06/20
- Product number
- 29162
- Product name
- Methyl 2-oxocyclohexanecarboxylate
- Purity
- technical, ≥90% (GC)
- Packaging
- 50ml
- Price
- $1380
- Updated
- 2023/06/20
- Product number
- M315040
- Product name
- Methyl 2-oxocyclohexanecarboxylate
- Packaging
- 2mg
- Price
- $130
- Updated
- 2021/12/16
- Product number
- 089169
- Product name
- Methyl 2-oxo-1-cyclohexanecarboxylate
- Packaging
- 1g
- Price
- $142
- Updated
- 2021/12/16
- Product number
- OR941792
- Product name
- Methyl 2-oxocyclohexanecarboxylate
- Purity
- 90%
- Packaging
- 1g
- Price
- $145
- Updated
- 2021/12/16
Methyl 2-oxocyclohexanecarboxylate Chemical Properties,Usage,Production
Chemical Properties
clear colorless to slightly yellow liquid
Uses
Methyl 2-oxocyclohexanecarboxylate has been used in the synthesis of substituted tetrahydrobenzofuran derivatives via reaction with propargylic esters in the presence of palladium catalyst.
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
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View Lastest Price from Methyl 2-oxocyclohexanecarboxylate manufacturers
- Product
- 2-METHOXYCARBONYLCYCLOHEXANONE 41302-34-5
- Price
- US $0.00-0.00/g
- Min. Order
- 100g
- Purity
- 98%
- Supply Ability
- 20tons
- Release date
- 2024-09-24
- Product
- 2-OXOCYCLOHEXANECARBOXYLIC ACID METHYL ESTER 41302-34-5
- Price
- US $0.00/g
- Min. Order
- 1g
- Purity
- 98%
- Supply Ability
- 20tons
- Release date
- 2024-09-18
- Product
- Methyl 2-oxocyclohexanecarboxylate 41302-34-5
- Price
- US $200.00-1.00/KG
- Min. Order
- 1KG
- Purity
- 99%, 99.5% Sublimated
- Supply Ability
- g-kg-tons, free sample is available
- Release date
- 2023-12-30