7-Hydroxy-4-methoxy-1-indanone

Base Information

• Chemical Name: 7-Hydroxy-4-methoxy-1-indanone
• CAS No.: 98154-04-2
• Molecular Formula: C10H10O3
• Molecular Weight: 178.188
• DSSTox Substance ID: DTXSID00541089
• Wikidata: Q82417320
• Mol file: 98154-04-2.mol

Synonyms:98154-04-2;7-Hydroxy-4-methoxy-1-indanone;7-hydroxy-4-methoxy-2,3-dihydroinden-1-one;7-hydroxy-4-methoxy-2,3-dihydro-1H-inden-1-one;SCHEMBL14451818;DTXSID00541089;7-Hydroxy-4-methoxy-indan-1-one;AM1233;MFCD09908135;AKOS006311469;AC-23405;F19151;1H-Inden-1-one, 2,3-dihydro-7-hydroxy-4-methoxy-

Chemical Property of 7-Hydroxy-4-methoxy-1-indanone

Chemical Property:

• PSA: 46.53000
• LogP: 1.52970
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 178.062994177
• Heavy Atom Count: 13
• Complexity: 214

Purity/Quality:

98% Min ^*data from raw suppliers

7-HYDROXY-4-METHOXY-1-INDANONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C2CCC(=O)C2=C(C=C1)O

Technology Process of 7-Hydroxy-4-methoxy-1-indanone

There total 4 articles about 7-Hydroxy-4-methoxy-1-indanone 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: 51.0%

4,7-dimethoxyindan-1-one (52428-09-8) → 7-hydroxy-4-methoxy-2,3-dihydroinden-1-one (98154-04-2)

Guidance literature:

With aluminium trichloride; In nitrobenzene; at 70 ℃; for 8h;

Reference yield:

2,5-dimethoxycinnamic acid (10538-51-9) → 7-hydroxy-4-methoxy-2,3-dihydroinden-1-one (98154-04-2)

Guidance literature:

Multi-step reaction with 4 steps

1: hydrogen; palladium 10% on activated carbon / ethyl acetate / 48 h / 23 °C

2: thionyl chloride; N,N-dimethyl-formamide / 2 h / 23 °C / Inert atmosphere

3: aluminum (III) chloride / dichloromethane / 0.17 h / 0 °C / Inert atmosphere

4: cerium(III) chloride heptahydrate; sodium iodide / N,N-dimethyl-formamide / 120 h / Reflux; Inert atmosphere

With aluminum (III) chloride; thionyl chloride; cerium(III) chloride heptahydrate; palladium 10% on activated carbon; hydrogen; N,N-dimethyl-formamide; sodium iodide; In dichloromethane; ethyl acetate; N,N-dimethyl-formamide;

DOI:10.1002/bkcs.11436

Reference yield:

3-(2,5-dimethoxyphenyl)propanoic acid (10538-49-5) → 7-hydroxy-4-methoxy-2,3-dihydroinden-1-one (98154-04-2)

Guidance literature:

Multi-step reaction with 3 steps

1: thionyl chloride; N,N-dimethyl-formamide / 2 h / 23 °C / Inert atmosphere

2: aluminum (III) chloride / dichloromethane / 0.17 h / 0 °C / Inert atmosphere

3: cerium(III) chloride heptahydrate; sodium iodide / N,N-dimethyl-formamide / 120 h / Reflux; Inert atmosphere

With aluminum (III) chloride; thionyl chloride; cerium(III) chloride heptahydrate; N,N-dimethyl-formamide; sodium iodide; In dichloromethane; N,N-dimethyl-formamide;

DOI:10.1002/bkcs.11436

upstream raw materials:

4,7-dimethoxyindan-1-one

2,5-dimethoxycinnamic acid

3-(2,5-dimethoxyphenyl)propanoic acid

3-(2,5-dimethoxyphenyl)propionyl chloride