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ETHYL 4-METHYL-2-CYCLOHEXANONE-1-CARBOXYLATE, also known as 2-Carbethoxy-5-methylcyclohexanone, is an organic compound that serves as a versatile reagent in various chemical reactions and organic synthesis processes. It is characterized by its unique molecular structure, which allows it to participate in a range of chemical transformations.

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  • 13537-82-1 Structure
  • Basic information

    1. Product Name: ETHYL 4-METHYL-2-CYCLOHEXANONE-1-CARBOXYLATE
    2. Synonyms: NSC 84213;ETHYL 4-METHYL-2-OXO-1-CYCLOHEXANECARBOXYLATE;ETHYL 4-METHYL-2-CYCLOHEXANONE-1-CARBOXYLATE;ethyl 4-methyl-2-oxocyclohexanecarboxylate;2-Oxo-4-methylcyclohexanecarboxylic acid ethyl ester;4-Methyl-2-oxocyclohexanecarboxylic acid ethyl ester;Ai3-18159;Cyclohexanecarboxylic acid, 4-methyl-2-oxo-, ethyl ester
    3. CAS NO:13537-82-1
    4. Molecular Formula: C10H16O3
    5. Molecular Weight: 184.23
    6. EINECS: 236-910-1
    7. Product Categories: Building Blocks;C10 to C11;Carbonyl Compounds;Chemical Synthesis;Esters;Organic Building Blocks
    8. Mol File: 13537-82-1.mol
  • Chemical Properties

    1. Melting Point: 53-54 °C
    2. Boiling Point: 128-132 °C32 mm Hg(lit.)
    3. Flash Point: >230 °F
    4. Appearance: /
    5. Density: 1.045 g/mL at 25 °C(lit.)
    6. Vapor Pressure: 0.0652mmHg at 25°C
    7. Refractive Index: n20/D 1.473(lit.)
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. PKA: 12.09±0.40(Predicted)
    11. Water Solubility: 2.56g/L at 20℃
    12. CAS DataBase Reference: ETHYL 4-METHYL-2-CYCLOHEXANONE-1-CARBOXYLATE(CAS DataBase Reference)
    13. NIST Chemistry Reference: ETHYL 4-METHYL-2-CYCLOHEXANONE-1-CARBOXYLATE(13537-82-1)
    14. EPA Substance Registry System: ETHYL 4-METHYL-2-CYCLOHEXANONE-1-CARBOXYLATE(13537-82-1)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany: 3
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 13537-82-1(Hazardous Substances Data)

13537-82-1 Usage

Uses

Used in Organic Synthesis:
ETHYL 4-METHYL-2-CYCLOHEXANONE-1-CARBOXYLATE is used as a chemical reagent for the synthesis of optically active α-methylene γ-butyrolactones and (+)-mintlactone. Its unique structure makes it a valuable component in the creation of complex organic molecules.
Used in Hydroxylation / Oxidative Chlorination:
ETHYL 4-METHYL-2-CYCLOHEXANONE-1-CARBOXYLATE is used as a reactant in hydroxylation and oxidative chlorination processes, involving the use of hydrogen peroxide as an oxidizing agent. This application allows for the selective introduction of hydroxyl or chlorine groups into the molecule, enabling further functionalization and modification.
Used in Heterocyclization:
In the field of heterocyclization, ETHYL 4-METHYL-2-CYCLOHEXANONE-1-CARBOXYLATE is employed as a reactant to form heterocyclic compounds. These compounds are important in the development of pharmaceuticals, agrochemicals, and other specialty chemicals.
Used in Cyclization of Generated Dianions:
ETHYL 4-METHYL-2-CYCLOHEXANONE-1-CARBOXYLATE is utilized in the cyclization of generated dianions, followed by dehydrogenation. This process leads to the formation of cyclic compounds with potential applications in various industries.
Used in Palladium-Catalyzed Isomerization:
As a reactant in palladium-catalyzed isomerization reactions, ETHYL 4-METHYL-2-CYCLOHEXANONE-1-CARBOXYLATE can be transformed into different isomers with unique properties and potential applications.
Used in Regioselective Cyclizations:
ETHYL 4-METHYL-2-CYCLOHEXANONE-1-CARBOXYLATE is used in regioselective cyclizations, which are crucial for the synthesis of complex organic molecules with specific structural features. This application is particularly relevant in the pharmaceutical and agrochemical industries.
Used in Vinylogous Michael Reactions:
In vinylogous Michael reactions, ETHYL 4-METHYL-2-CYCLOHEXANONE-1-CARBOXYLATE serves as a reactant, leading to the formation of new carbon-carbon bonds and the synthesis of diverse organic compounds with potential applications in various fields.

Flammability and Explosibility

Notclassified

Check Digit Verification of cas no

The CAS Registry Mumber 13537-82-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,3,5,3 and 7 respectively; the second part has 2 digits, 8 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 13537-82:
(7*1)+(6*3)+(5*5)+(4*3)+(3*7)+(2*8)+(1*2)=101
101 % 10 = 1
So 13537-82-1 is a valid CAS Registry Number.
InChI:InChI=1/C10H16O3/c1-3-13-10(12)8-5-4-7(2)6-9(8)11/h7-8H,3-6H2,1-2H3

13537-82-1SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name ethyl 4-methyl-2-oxocyclohexane-1-carboxylate

1.2 Other means of identification

Product number -
Other names Ethyl-4-methyl-2-cyclohexanone-1-carboxylate

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:13537-82-1 SDS

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