5-[3,4-(METHYLENEDIOXY)PHENYL]-5-OXOVALERIC ACID

Base Information

• Chemical Name: 5-[3,4-(METHYLENEDIOXY)PHENYL]-5-OXOVALERIC ACID
• CAS No.: 87961-41-9
• Molecular Formula: C₁₂H₁₂O₅
• Molecular Weight: 236.224
• Hs Code.: 2932999099
• Mol file: 87961-41-9.mol

Synonyms:5-[3,4-(METHYLENEDIOXY)PHENYL]-5-OXOVALERIC ACID

Chemical Property of 5-[3,4-(METHYLENEDIOXY)PHENYL]-5-OXOVALERIC ACID

Chemical Property:

• Vapor Pressure: 4.68E-10mmHg at 25°C
• Boiling Point: 480.8°C at 760 mmHg
• Flash Point: 191.3°C
• PSA: 72.83000
• Density: 1.339g/cm³
• LogP: 1.85290

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

5-[3,4-(METHYLENEDIOXY)PHENYL]-5-OXOVALERICACID ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 5-[3,4-(METHYLENEDIOXY)PHENYL]-5-OXOVALERIC ACID

There total 8 articles about 5-[3,4-(METHYLENEDIOXY)PHENYL]-5-OXOVALERIC ACID 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: 71.0%

1-(3,4-methylenedioxyphenyl)cyclopentene (95849-53-9) → 1,3-benzodioxole-5-δ-ketopentanoic acid (87961-41-9)

Guidance literature:

With potassium permanganate; Aliquat 336; In water; benzene; at 0 - 45 ℃; for 1.5h;

DOI:10.1246/bcsj.71.2181

Reference yield: 46.0%

cis-2-(benzo[d][1,3]dioxol-5-yl)cyclohexylamine → 1,3-benzodioxole-5-δ-ketopentanoic acid (87961-41-9)

Guidance literature:

With rose bengal; oxygen; In 1,4-dioxane; at 25 ℃; for 24h; Irradiation;

DOI:10.1002/chem.201604440

Reference yield:

piperonal (120-57-0,30024-74-9) → 1,3-benzodioxole-5-δ-ketopentanoic acid (87961-41-9)

Guidance literature:

Multi-step reaction with 5 steps

1.1: magnesium / diethyl ether

1.2: 74 percent / diethyl ether / 0 - 20 °C

2.1: 77 percent / chromium(VI) oxide; Celite / pyridine / 8 h / 20 °C

3.1: 73 percent / p-toluenesulfonic acid monohydrate; trimethyl orthoformate / 12 h / 20 °C

4.1: 82 percent / EtAlCl₂ / CH₂Cl₂ / 1 h / -78 - 20 °C

5.1: 71 percent / methyltrioctylammonium chloride; KMnO₄ / benzene; H₂O / 1.5 h / 0 - 45 °C

With chromium(VI) oxide; potassium permanganate; Celite; ethylaluminum dichloride; Aliquat 336; toluene-4-sulfonic acid; magnesium; trimethyl orthoformate; In pyridine; diethyl ether; dichloromethane; water; benzene; 1.1: Metallation / 1.2: Grignard reaction / 2.1: Oxidation / 3.1: Etherification / 4.1: Disproportionation / 5.1: Oxidation;

DOI:10.1246/bcsj.71.2181

upstream raw materials:

glutaric anhydride,

Methylenedioxybenzene

1-(3,4-methylenedioxyphenyl)cyclopentene

piperonal

Downstream raw materials:

6-(benzo[1,3]dioxol-5-yl)pyran-2-one

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