Cas no 920981-12-0 (1-(Difluoromethoxy)-2-iodobenzene)

1-(Difluoromethoxy)-2-iodobenzene structure
920981-12-0 structure
Product Name:1-(Difluoromethoxy)-2-iodobenzene
CAS No:920981-12-0
MF:C7H5F2IO
MW:270.015281438828
MDL:MFCD09749662
CID:1029348
PubChem ID:15945938
Update Time:2024-10-26

1-(Difluoromethoxy)-2-iodobenzene Chemical and Physical Properties

Names and Identifiers

    • 1-(Difluoromethoxy)-2-iodobenzene
    • 2-(Difluoromethoxy)iodobenzene
    • 2-Iodo-1-(difluoromethoxy)benzene
    • 1-Difluoromethoxy-2-iodobenzene
    • 1-Iodo-2-(difluoromethoxy)benzene
    • PC7263
    • AS02464
    • AK136295
    • ST2403258
    • 1-[bis(fluoranyl)methoxy]-2-iodanyl-benzene
    • X8405
    • A844145
    • 1-(Difluoromethoxy)-2-iodobenzene (ACI)
    • CK2335
    • MFCD09749662
    • DTXSID90580083
    • CS-W021254
    • SY106752
    • BZOXAMCTTCQOTB-UHFFFAOYSA-N
    • SB85452
    • DB-079231
    • AKOS009322888
    • 920981-12-0
    • SCHEMBL1438852
    • EN300-5042512
    • DS-5372
    • MDL: MFCD09749662
    • Inchi: 1S/C7H5F2IO/c8-7(9)11-6-4-2-1-3-5(6)10/h1-4,7H
    • InChI Key: BZOXAMCTTCQOTB-UHFFFAOYSA-N
    • SMILES: FC(OC1C(I)=CC=CC=1)F

Computed Properties

  • Exact Mass: 269.93500
  • Monoisotopic Mass: 269.93532g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 121
  • 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: 3.7
  • Topological Polar Surface Area: 9.2

Experimental Properties

  • Density: 1.839
  • Boiling Point: 334.5°C at 760 mmHg
  • Flash Point: 94℃
  • PSA: 9.23000
  • LogP: 2.89260

1-(Difluoromethoxy)-2-iodobenzene Security Information

  • Signal Word:Warning
  • Hazard Statement: H302
  • Warning Statement: P280-P305+P351+P338
  • Storage Condition:Keep in dark place,Inert atmosphere,2-8°C

1-(Difluoromethoxy)-2-iodobenzene Pricemore >>

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1-(Difluoromethoxy)-2-iodobenzene Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sodium hydride Solvents: Dimethylformamide ;  10 min, 5 °C
1.2 5 °C → rt; 2 h, rt
Reference
Process for preparation of difluoromethyl containing compounds using (difluoromethyl)trialkylammonium salts
, China, , ,

Production Method 2

Reaction Conditions
1.1 Reagents: Sodium hydroxide Solvents: Dimethylformamide ;  4 h, 75 °C
Reference
Decarboxylative Trifluoromethylating Reagent [Cu(O2CCF3)(phen)] and Difluorocarbene Precursor [Cu(phen)2][O2CCF2Cl]
Lin, Xiaoxi; Hou, Chuanqi; Li, Haohong; Weng, Zhiqiang, Chemistry - A European Journal, 2016, 22(6), 2075-2084

Production Method 3

Reaction Conditions
1.1 Reagents: Potassium hydroxide Solvents: Acetonitrile ,  Water ;  -78 °C; -78 °C → 80 °C; 4 h, 80 °C
Reference
2-Chloro-2,2-difluoroacetophenone: A Non-ODS-based difluorocarbene precursor and its use in the difluoromethylation of phenol derivatives
Zhang, Laijun; Zheng, Ji; Hu, Jinbo, Journal of Organic Chemistry, 2006, 71(26), 9845-9848

Production Method 4

Reaction Conditions
1.1 Reagents: Phosphorus pentachloride Solvents: Dichloromethane ;  12 h, 35 °C
1.2 Reagents: Hydrofluoric acid Solvents: Tetrahydrofuran ;  12 h, rt
1.3 Solvents: Water ;  rt
Reference
Three step procedure for the preparation of aromatic and aliphatic difluoromethyl ethers from phenols and alcohols using a chlorine/fluorine exchange methodology
Dolbier, William R. Jr.; Wang, Fei; Tang, Xiaojun; Thomoson, Charles S.; Wang, Linhua, Journal of Fluorine Chemistry, 2014, 160, 72-76

Production Method 5

Reaction Conditions
1.1 Reagents: Sodium hydride Solvents: Acetonitrile ;  10 min, 5 °C
1.2 5 °C; 1.5 h, 5 °C → rt
1.3 Reagents: Water ;  rt
Reference
Difluoromethylation of O-, S-, N-, C-nucleophiles using difluoromethyltri(n-butyl)ammonium chloride as a new difluorocarbene source
Wang, Fei; Huang, Weizhou; Hu, Jinbo, Chinese Journal of Chemistry, 2011, 29(12), 2717-2721

Production Method 6

Reaction Conditions
1.1 Reagents: Potassium hydroxide Solvents: Acetonitrile ,  Water ;  5 h, 50 °C
Reference
Chlorodifluoromethyl phenyl sulfone: a novel non-ozone-depleting substance-based difluorocarbene reagent for O- and N-difluoromethylations
Zheng, Ji; Li, Ya; Zhang, Laijun; Hu, Jinbo; Meuzelaar, Gerrit Joost; et al, Chemical Communications (Cambridge, 2007, (48), 5149-5151

Production Method 7

Reaction Conditions
1.1 Reagents: Potassium hydroxide Solvents: Acetonitrile ,  Water ;  4 h, 60 °C; 60 °C → rt
Reference
Method for preparation of difluoromethyl-containing compound
, China, , ,

Production Method 8

Reaction Conditions
1.1 Reagents: Cesium carbonate Catalysts: fac-Tris(2-(2-pyridinyl)phenyl)iridium Solvents: Dimethylformamide ;  12 h, 25 °C
Reference
Visible-Light Photoredox Difluoromethylation of Phenols and Thiophenols with Commercially Available Difluorobromoacetic Acid
Yang, Jinyan; Jiang, Min; Jin, Yunhe; Yang, Haijun; Fu, Hua, Organic Letters, 2017, 19(10), 2758-2761

Production Method 9

Reaction Conditions
1.1 Reagents: Potassium carbonate Solvents: Dimethylformamide ;  0.5 h, 60 - 70 °C
1.2 4 - 5 h, 60 - 70 °C; 12 h, 60 - 70 °C
1.3 Reagents: Water
Reference
Preparation of tricyclic compounds as mPGES-1 inhibitors
, World Intellectual Property Organization, , ,

1-(Difluoromethoxy)-2-iodobenzene Raw materials

1-(Difluoromethoxy)-2-iodobenzene Preparation Products

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