5-Chloro-6-methoxy-1-indanone

Base Information

• Chemical Name: 5-Chloro-6-methoxy-1-indanone
• CAS No.: 344305-70-0
• Molecular Formula: C10H9 Cl O2
• Molecular Weight: 196.63
• Hs Code.: 2914700090
• European Community (EC) Number: 625-839-5
• DSSTox Substance ID: DTXSID40448402
• Wikidata: Q82267375
• Mol file: 344305-70-0.mol

Synonyms:344305-70-0;5-Chloro-6-methoxy-1-indanone;5-chloro-6-methoxy-2,3-dihydro-1H-inden-1-one;5-chloro-6-methoxy-2,3-dihydroinden-1-one;1H-Inden-1-one, 5-chloro-2,3-dihydro-6-methoxy-;SCHEMBL2494625;5-chloro-6-methoxy-indan-1-one;DTXSID40448402;XIUZEIYKEBEXIB-UHFFFAOYSA-N;CS-D0114;AM9293;MFCD07784346;AKOS015851863;AS-38627;FT-0655552;5-CHLORO-6-METHOXY-1-INDANONE, 97%;A822231;J-019600

Chemical Property of 5-Chloro-6-methoxy-1-indanone

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 165-166℃
• Refractive Index: 1.578
• Boiling Point: 340.633°C at 760 mmHg
• Flash Point: 154.17°C
• PSA: 26.30000
• Density: 1.302g/cm³
• LogP: 2.47750
• Storage Temp.: 2-8°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 196.0291072
• Heavy Atom Count: 13
• Complexity: 217

Purity/Quality:

99%, ^*data from raw suppliers

5-Chloro-6-methoxy-2,3-dihydro-1H-inden-1-one ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-43
• Safety Statements: 37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=C(C=C2CCC(=O)C2=C1)Cl
• Uses: Reactant for:Preparation of azaheterocycles via a palladium(II)-catalyzed ring-expansion reactionPreparation of phenyldihydroindene hydroxy derivatives as dopamine receptor ligands

Technology Process of 5-Chloro-6-methoxy-1-indanone

There total 4 articles about 5-Chloro-6-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: 87.0%

3-(3-chloro-4-methoxyphenyl)propionyl chloride (344308-95-8) → 5-chloro-6-methoxy-2,3-dihydro-1H-inden-1-one (344305-70-0)

Guidance literature:

With aluminium trichloride; In dichloromethane; at 0 - 20 ℃; for 3h;

DOI:10.1021/jm020120c

Reference yield: 66.0%

3-(3-chloro-4-methoxyphenyl)propionic acid (1857-56-3) → 5-chloro-6-methoxy-2,3-dihydro-1H-inden-1-one (344305-70-0)

Guidance literature:

With polyphoshoric acid; at 70 ℃; for 2h;

Reference yield:

3-chloro-4-methoxy-benzaldehyde (4903-09-7) → 5-chloro-6-methoxy-2,3-dihydro-1H-inden-1-one (344305-70-0)

Guidance literature:

Multi-step reaction with 3 steps

1: 88 g / Et₃N; HCOOH / dimethylformamide / 24 h / 20 °C

2: SOCl₂ / 1.5 h / 20 - 100 °C

3: 87 percent / AlCl₃ / CH₂Cl₂ / 3 h / 0 - 20 °C

With aluminium trichloride; formic acid; thionyl chloride; triethylamine; In dichloromethane; N,N-dimethyl-formamide; 3: Friedel-Crafts reaction;

DOI:10.1021/jm020120c

upstream raw materials:

3-(3-chloro-4-methoxyphenyl)propionyl chloride

3-chloro-4-methoxy-benzaldehyde

3-(3-chloro-4-methoxyphenyl)propionic acid

4-methoxy-benzaldehyde

Downstream raw materials:

6-Chlor-indan-5-ol

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