Methyl 2-hydroxy-4-oxo-6-pentylcyclohex-2-ene-1-carboxylate

Base Information

• Chemical Name: Methyl 2-hydroxy-4-oxo-6-pentylcyclohex-2-ene-1-carboxylate
• CAS No.: 27871-89-2
• Molecular Formula: C13H20O4
• Molecular Weight: 240.299
• DSSTox Substance ID: DTXSID40382857
• Mol file: 27871-89-2.mol

Synonyms:27871-89-2;methyl 2-hydroxy-4-oxo-6-pentylcyclohex-2-ene-1-carboxylate;Methyl 2-hydroxy-4-oxo-6-pentylcyclohex-2-enecarboxylate;methyl 6-n-Pentyl-2-hydroxy-4-oxo-cyclohex-2-ene-1-carboxylate;SCHEMBL15994429;AMY6584;DTXSID40382857;FETWVVHGLAIOOR-UHFFFAOYSA-N;Methyl2-hydroxy-4-oxo-6-pentylcyclohex-2-enecarboxylate;methyl 2-hydroxy-4-oxo-6-pentyl-2-cyclohexene-1-carboxylate

Chemical Property of Methyl 2-hydroxy-4-oxo-6-pentylcyclohex-2-ene-1-carboxylate

Chemical Property:

• Boiling Point: 349.2±42.0 °C(Predicted)
• PSA: 63.60000
• Density: 1.112±0.06 g/cm3(Predicted)
• LogP: 2.38680
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 240.13615911
• Heavy Atom Count: 17
• Complexity: 319

Purity/Quality:

99% ,98%,Electron Grade , ^*data from raw suppliers

Methyl2-hydroxy-4-oxo-6-pentylcyclohex-2-enecarboxylate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC1CC(=O)C=C(C1C(=O)OC)O

Technology Process of Methyl 2-hydroxy-4-oxo-6-pentylcyclohex-2-ene-1-carboxylate

There total 2 articles about Methyl 2-hydroxy-4-oxo-6-pentylcyclohex-2-ene-1-carboxylate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

Non-3-en-2-on (14309-57-0) + malonic acid dimethyl ester (108-59-8) → methyl 6-n-pentyl-2-hydroxy-4-oxo-cyclohex-2-ene-1-carboxylate (27871-89-2)

Guidance literature:

With sodium methylate; In methanol; for 3h; Inert atmosphere; Reflux;

Reference yield:

→ methyl 6-n-pentyl-2-hydroxy-4-oxo-cyclohex-2-ene-1-carboxylate (27871-89-2)

Guidance literature:

Diethylmalonat, 3-Nonen-2-on, NaOMe;

Reference yield: 69.3%

methyl 6-n-pentyl-2-hydroxy-4-oxo-cyclohex-2-ene-1-carboxylate (27871-89-2) → Olivetol (500-66-3)

Guidance literature:

With bromine; In N,N-dimethyl-formamide; at 160 ℃; for 10h; Cooling with ice;

upstream raw materials:

Non-3-en-2-on

malonic acid dimethyl ester

Downstream raw materials:

Olivetol