5,7-Difluoro-3,4-dihydronaphthalen-1(2H)-one

Base Information

• Chemical Name: 5,7-Difluoro-3,4-dihydronaphthalen-1(2H)-one
• CAS No.: 110931-79-8
• Molecular Formula: C10H8F2O
• Molecular Weight: 182.17
• DSSTox Substance ID: DTXSID90559496
• Wikidata: Q82442242
• Mol file: 110931-79-8.mol

Synonyms:110931-79-8;5,7-Difluoro-3,4-dihydronaphthalen-1(2H)-one;5,7-DIFLUORO-3,4-DIHYDRO-2H-NAPHTHALEN-1-ONE;MFCD08544417;5,7-difluoro-1-tetralone;5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-one;5, 7-difluoro-1-tetralone;SCHEMBL8459403;DTXSID90559496;WNXVYUPXXGLTSF-UHFFFAOYSA-N;AM8879;AKOS012023526;CS-W007233;AC-31620;DS-14233;SY109171;EN300-213755;5,7-difluoro-3,4-dihydro-1(2H)-naphthalenone;5 pound not7-Difluoro-3 pound not4-dihydronaphthalen-1(2H)-one

Chemical Property of 5,7-Difluoro-3,4-dihydronaphthalen-1(2H)-one

Chemical Property:

• Boiling Point: 260.7±40.0 °C(Predicted)
• Density: 1.290±0.06 g/cm3(Predicted)
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 182.05432120
• Heavy Atom Count: 13
• Complexity: 217

Purity/Quality:

99%, ^*data from raw suppliers

5,7-Difluoro-3,4-dihydronaphthalen-1(2H)-one 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=C(C=C(C=C2F)F)C(=O)C1

Technology Process of 5,7-Difluoro-3,4-dihydronaphthalen-1(2H)-one

There total 12 articles about 5,7-Difluoro-3,4-dihydronaphthalen-1(2H)-one 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: 76.0%

4-(2,4-difluorophenyl)butanoic acid chloride → 5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-one (110931-79-8)

Guidance literature:

With aluminium trichloride; In 1,2-dichloro-ethane; at 20 - 60 ℃; for 1.5h;

DOI:10.1021/jm00071a011

Reference yield:

1,3-Difluorobenzene (372-18-9) → 5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-one (110931-79-8)

Guidance literature:

Multi-step reaction with 4 steps

1: AlCl₃ / 6 h / 65 °C

2: 1.) amalgamated zinc, aq. HCl, acetic acid, 2.) H₂, 1 N NaOH / 2.) 10percent Pd/C / 1.) toluene, reflux, 8 h, 2.) RT, 36 h

3: thionyl chloride / 1 h / 55 °C

4: 76 percent / AlCl₃ / 1,2-dichloro-ethane / 1.5 h / 20 - 60 °C

With hydrogenchloride; sodium hydroxide; aluminium trichloride; thionyl chloride; amalgamated zinc; hydrogen; acetic acid; palladium on activated charcoal; In 1,2-dichloro-ethane;

DOI:10.1021/jm00071a011

Reference yield:

4-(2,4-difluorophenyl)-4-oxobutanoic acid (110931-77-6) → 5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-one (110931-79-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 1.) amalgamated zinc, aq. HCl, acetic acid, 2.) H₂, 1 N NaOH / 2.) 10percent Pd/C / 1.) toluene, reflux, 8 h, 2.) RT, 36 h

2: thionyl chloride / 1 h / 55 °C

3: 76 percent / AlCl₃ / 1,2-dichloro-ethane / 1.5 h / 20 - 60 °C

With hydrogenchloride; sodium hydroxide; aluminium trichloride; thionyl chloride; amalgamated zinc; hydrogen; acetic acid; palladium on activated charcoal; In 1,2-dichloro-ethane;

DOI:10.1021/jm00071a011

upstream raw materials:

4-(2,4-difluorophenyl)butanoic acid

4-(2,4-difluorophenyl)butanoic acid 1,1-dimethylethyl ester

4-(2,4-difluorophenyl)-4-hydroxybutanoic acid 1,1-dimethylethyl ester

4-(2,4-difluoro-phenyl)-4-oxo-butyric acid tert-butyl ester

Downstream raw materials:

(S)-2-tetralol

4,6-Difluoro-1a,2,3,7b-tetrahydro-1-oxa-cyclopropa[a]naphthalene

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