5-METHOXY-1-INDANONE-3-ACETIC ACID

Base Information

• Chemical Name: 5-METHOXY-1-INDANONE-3-ACETIC ACID
• CAS No.: 24467-92-3
• Molecular Formula: C12H12 O4
• Molecular Weight: 220.225
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID20947362
• Nikkaji Number: J1.027.036G
• Mol file: 24467-92-3.mol

Synonyms:(?à)-5-Methoxy-1-indanone-3-aceticacid; 5-Methoxy-1-indanone-3-acetic acid; 5-Methoxy-1-oxoindane-3-acetic acid

Chemical Property of 5-METHOXY-1-INDANONE-3-ACETIC ACID

Chemical Property:

• Vapor Pressure: 4.11E-08mmHg at 25°C
• Melting Point: 139-144 °C(lit.)
• Boiling Point: 428.7°Cat760mmHg
• Flash Point: 170.6°C
• PSA: 63.60000
• Density: 1.286g/cm³
• LogP: 1.83990
• Solubility.: chloroform: soluble5%, clear, yellow-brown
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 220.07355886
• Heavy Atom Count: 16
• Complexity: 299

Purity/Quality:

97% ^*data from raw suppliers

5-Methoxy-1-indanone-3-acetic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=CC2=C(C=C1)C(=O)CC2CC(=O)O

Technology Process of 5-METHOXY-1-INDANONE-3-ACETIC ACID

There total 8 articles about 5-METHOXY-1-INDANONE-3-ACETIC 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:

C17H20O6 → 5-methoxy-1-indanone-3-acetic acid (24467-92-3)

Guidance literature:

With hydrogenchloride; In water; at 90 ℃;

DOI:10.1021/acs.orglett.5b01350

Reference yield:

5-methoxy-2-inden-1-one (72913-59-8) → 5-methoxy-1-indanone-3-acetic acid (24467-92-3)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium ethanolate / tetrahydrofuran / 20 °C

2: hydrogenchloride / water / 90 °C

With hydrogenchloride; sodium ethanolate; In tetrahydrofuran; water;

DOI:10.1021/acs.orglett.5b01350

Reference yield:

3-(3-methoxy-phenyl)-glutaric acid (69061-62-7) → 5-methoxy-1-indanone-3-acetic acid (24467-92-3)

Guidance literature:

With phosphorus pentachloride; at 150 ℃; Erhitzen mit Aluminiumchlorid in Nitrobenzol;

DOI:10.1039/jr9490003177

upstream raw materials:

3-(3-methoxy-phenyl)-glutaric acid

3-methoxy-benzaldehyde

4-hydroxy-2-(3-methoxy-phenyl)-4-methyl-6-oxo-cyclohexane-1,3-dicarboxylic acid diethyl ester

5-methoxy-2-inden-1-one

Downstream raw materials:

6-methoxyindan-1-acetyl chloride

N-(4-hydroxyphenethyl)-2-(6-methoxy-3-oxo-2,3-dihydro-1H-inden-1-yl)acetamide

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