Cas no 127842-55-1 (1-[2-(difluoromethoxy)phenyl]ethan-1-one)

1-[2-(difluoromethoxy)phenyl]ethan-1-one structure
127842-55-1 structure
Product Name:1-[2-(difluoromethoxy)phenyl]ethan-1-one
CAS No:127842-55-1
MF:C9H8F2O2
MW:186.155429840088
MDL:MFCD00236219
CID:230436
PubChem ID:2063346
Update Time:2025-04-19

1-[2-(difluoromethoxy)phenyl]ethan-1-one Chemical and Physical Properties

Names and Identifiers

    • 1-(2-(Difluoromethoxy)phenyl)ethanone
    • 1-[2-(difluoromethoxy)phenyl]ethanone
    • 2'-(Difluoromethoxy)acetophenone
    • Ethanone,1-[2-(difluoromethoxy)phenyl]-
    • 1-[2-(difluoromethoxy)phenyl]ethan-1-one
    • 2-(difluoro-methoxy)acetophenone
    • Ethanone,1-[2-(difluoromethoxy)phenyl]
    • 2'-(DIFLUOROMETHOXY)ACETOPHENONE 98
    • 1-(2-Difluoromethoxy-phenyl)-ethanone
    • 1-(2-(difluoromethoxy)phenyl)ethan-1-one
    • 127842-55-1
    • Ethanone, 1-[2-(difluoromethoxy)phenyl]-
    • JS-4112
    • DTXSID00366239
    • 2/'-(DIFLUOROMETHOXY)ACETOPHENONE 98
    • SCHEMBL1286684
    • Z55671925
    • 1-[2-[bis(fluoranyl)methoxy]phenyl]ethanone
    • A805754
    • MFCD00236219
    • EN300-01079
    • AKOS000115378
    • 2 inverted exclamation mark -(Difluoromethoxy)acetophenone
    • SY227894
    • CS-0037493
    • FT-0608775
    • 2'-(Difluoromethoxy)acetophenone 98%
    • MDL: MFCD00236219
    • Inchi: 1S/C9H8F2O2/c1-6(12)7-4-2-3-5-8(7)13-9(10)11/h2-5,9H,1H3
    • InChI Key: GSIJRMUIVJNUGP-UHFFFAOYSA-N
    • SMILES: FC(OC1C=CC=CC=1C(C)=O)F

Computed Properties

  • Exact Mass: 186.04900
  • Monoisotopic Mass: 186.04923582g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 183
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.8
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.30000
  • LogP: 2.49060

1-[2-(difluoromethoxy)phenyl]ethan-1-one Security Information

1-[2-(difluoromethoxy)phenyl]ethan-1-one Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI XIAN DING Biotechnology Co., Ltd.
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SHANG HAI BI DE YI YAO KE JI GU FEN Co., Ltd.
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SHANG HAI BI DE YI YAO KE JI GU FEN Co., Ltd.
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1-[2-(difluoromethoxy)phenyl]ethan-1-one Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Potassium hydroxide Solvents: 2-Methyltetrahydrofuran ,  Water ;  12 h, 23 °C
2.1 Solvents: 1,2-Dichloroethane ;  12 h, 60 °C
3.1 Catalysts: Tris(2,2′-bipyridine)ruthenium(2+) bis(hexafluorophosphate) Solvents: Acetonitrile ;  12 h, 23 °C
Reference
Catalytic radical difluoromethoxylation of arenes and heteroarenes
Lee, Johnny W.; et al, Chemical Science, 2019, 10(11), 3217-3222

Production Method 2

Reaction Conditions
1.1 Catalysts: Tris(2,2′-bipyridine)ruthenium(2+) bis(hexafluorophosphate) Solvents: Acetonitrile ;  12 h, 23 °C
Reference
Catalytic radical difluoromethoxylation of arenes and heteroarenes
Lee, Johnny W.; et al, Chemical Science, 2019, 10(11), 3217-3222

Production Method 3

Reaction Conditions
1.1 Catalysts: Tris(2,2′-bipyridine)ruthenium(2+) bis(hexafluorophosphate) Solvents: Acetonitrile ;  30 min
Reference
Visible-Light Photoredox-Catalyzed C(sp2)-H Difluoromethoxylation of (Hetero)arenes Utilizing a Shelf-Stable Pyridinium Reagent
Lin, Daniel; et al, Organic Letters, 2022, 24(40), 7255-7259

Production Method 4

Reaction Conditions
1.1 Solvents: Acetonitrile ;  18 h, 66 °C
2.1 Catalysts: Tris(2,2′-bipyridine)ruthenium(2+) bis(hexafluorophosphate) Solvents: Acetonitrile ;  30 min
Reference
Visible-Light Photoredox-Catalyzed C(sp2)-H Difluoromethoxylation of (Hetero)arenes Utilizing a Shelf-Stable Pyridinium Reagent
Lin, Daniel; et al, Organic Letters, 2022, 24(40), 7255-7259

Production Method 5

Reaction Conditions
1.1 Solvents: 1,2-Dichloroethane ;  12 h, 60 °C
2.1 Catalysts: Tris(2,2′-bipyridine)ruthenium(2+) bis(hexafluorophosphate) Solvents: Acetonitrile ;  12 h, 23 °C
Reference
Catalytic radical difluoromethoxylation of arenes and heteroarenes
Lee, Johnny W.; et al, Chemical Science, 2019, 10(11), 3217-3222

Production Method 6

Reaction Conditions
1.1 Reagents: Acetic acid ;  rt → 80 °C; reflux
1.2 Reagents: Hydrogen peroxide Solvents: Water ;  16 h
2.1 Solvents: Acetonitrile ;  18 h, 66 °C
3.1 Catalysts: Tris(2,2′-bipyridine)ruthenium(2+) bis(hexafluorophosphate) Solvents: Acetonitrile ;  30 min
Reference
Visible-Light Photoredox-Catalyzed C(sp2)-H Difluoromethoxylation of (Hetero)arenes Utilizing a Shelf-Stable Pyridinium Reagent
Lin, Daniel; et al, Organic Letters, 2022, 24(40), 7255-7259

1-[2-(difluoromethoxy)phenyl]ethan-1-one Raw materials

1-[2-(difluoromethoxy)phenyl]ethan-1-one Preparation Products

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