5515-76-4 | 4-Methylcyclohex-2-en-1-one

Packsize	Purity	Availability	Price	Discounted Price
100mg	95%	in stock	$67.00	$47.00
250mg	95%	in stock	$113.00	$79.00
500mg	95%	in stock	$188.00	$131.00
1g	95%	in stock	$202.00	$141.00
5g	95%	in stock	$837.00	$586.00
10g	95%	in stock	$1,395.00	$976.00

Description

• Catalog Number: AI67275
• Chemical Name: 4-Methylcyclohex-2-en-1-one
• CAS Number: 5515-76-4
• Molecular Formula: C7H10O
• Molecular Weight: 110.1537
• MDL Number: MFCD00869736
• SMILES: CC1CCC(=O)C=C1

Upstream Synthesis Route

To synthesize 4-Methylcyclohex-2-en-1-one, you may start with 4-methylcyclohexanol as the precursor. The process involves the following steps:

1. Dehydration of 4-methylcyclohexanol: Treat 4-methylcyclohexanol with a strong acid, such as sulfuric acid or phosphoric acid to induce elimination, resulting in 1-methylcyclohexene.

2. Isomerization: The 1-methylcyclohexene undergoes an acid-catalyzed isomerization to form 4-methylcyclohexene, positioning the methyl group appropriately for the following steps.

3. Epoxidation: The 4-methylcyclohexene is then reacted with a peracid, such as m-chloroperoxybenzoic acid (MCPBA), to form the corresponding epoxide, 4-methylcyclohexene oxide.

4. Acid-Catalyzed Ring-Opening: The epoxide ring is then opened using dilute acid, like hydrochloric acid, which results in the formation of 4-methylcyclohexan-1,2-diol.

5. Dehydration: This diol is then dehydrated under more strenuous acidic conditions or by using a dehydrating reagent such as thionyl chloride to yield 4-methylcyclohex-2-en-1-ol.

6. Oxidation: Finally, 4-methylcyclohex-2-en-1-ol is oxidized to 4-Methylcyclohex-2-en-1-one using an oxidizing agent like pyridinium chlorochromate (PCC) or the Dess-Martin periodinane.

Each step must be controlled accurately to maximize yield and to obtain the desired product with high purity.