Cas no 857233-13-7 (1-(3-Chlorophenyl)-1-hydroxy-2-propanone)

1-(3-Chlorophenyl)-1-hydroxy-2-propanone structure
857233-13-7 structure
Product Name:1-(3-Chlorophenyl)-1-hydroxy-2-propanone
CAS No:857233-13-7
MF:C9H9ClO2
MW:184.619561910629
MDL:MFCD16251305
CID:663688
PubChem ID:10012623
Update Time:2024-10-26

1-(3-Chlorophenyl)-1-hydroxy-2-propanone Chemical and Physical Properties

Names and Identifiers

    • 2-Propanone, 1-(3-chlorophenyl)-1-hydroxy-
    • 1-(3-Chlorophenyl)-1-hydroxy-2-propanone
    • 1-(3-chlorophenyl)-1-hydroxypropan-2-one
    • 1-(3-Chlorophenyl)-1-hydroxy-2-propanone (ACI)
    • 2-Propanone, 1-(m-chlorophenyl)-1-hydroxy- (5CI)
    • 1-(m-Chlorophenyl)-1-hydroxy-2-propanone
    • CHEMBL4590340
    • 1-(3-Chlorophenyl)-1-hydroxy-2-propanone; USP Bupropion Hydrochloride Related Compound F; 852U77
    • USP Bupropion Related Compound C
    • MFCD16251305
    • Buprion Related Compound F (USP)
    • UNII-ZH3TKS3HJR
    • 857233-13-7
    • Z1255467340
    • AKOS023431128
    • DTXCID00384933
    • ZH3TKS3HJR
    • J-008962
    • DTXSID20434106
    • SCHEMBL12658713
    • G82792
    • EN300-219586
    • DB-237652
    • MDL： MFCD16251305
    • Inchi： 1S/C9H9ClO2/c1-6(11)9(12)7-3-2-4-8(10)5-7/h2-5,9,12H,1H3
    • InChI Key： HTTAEBUFKZSUKE-UHFFFAOYSA-N
    • SMILES： O=C(C(C1C=C(Cl)C=CC=1)O)C

Computed Properties

  • Exact Mass: 184.02900
  • Monoisotopic Mass: 184.0291072g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 170
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.6
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • PSA: 37.30000
  • LogP: 1.96240

1-(3-Chlorophenyl)-1-hydroxy-2-propanone Security Information

  • Hazardous Material transportation number：NONH for all modes of transport

1-(3-Chlorophenyl)-1-hydroxy-2-propanone Pricemore >>

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1-(3-Chlorophenyl)-1-hydroxy-2-propanone Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sodium bicarbonate ,  Potassium peroxymonosulfate sulfate (2KHSO5.KHSO4.K2SO4) Catalysts: Ruthenium trichloride Solvents: Acetonitrile ,  Ethyl acetate ,  Water ;  rt
1.2 20 min, rt
Reference
Chemo-, Regio-, Diastereo-, and Enantioselective Palladium Allylic Alkylation of 1,3-Dioxaboroles as Synthetic Equivalents of α-Hydroxyketones
Trost, Barry M. ; et al, Journal of the American Chemical Society, 2019, 141(24), 9521-9526

Production Method 2

Reaction Conditions
1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran ,  Hexane ;  0.5 min, -78 °C; -78 °C → rt; 10 min, rt; rt → -78 °C
1.2 Solvents: Tetrahydrofuran ;  1 min, -78 °C; 10 min, -78 °C; -78 °C → rt; 30 min, rt
2.1 Reagents: Sodium bicarbonate ,  Potassium peroxymonosulfate sulfate (2KHSO5.KHSO4.K2SO4) Catalysts: Ruthenium trichloride Solvents: Acetonitrile ,  Ethyl acetate ,  Water ;  rt
2.2 20 min, rt
Reference
Chemo-, Regio-, Diastereo-, and Enantioselective Palladium Allylic Alkylation of 1,3-Dioxaboroles as Synthetic Equivalents of α-Hydroxyketones
Trost, Barry M. ; et al, Journal of the American Chemical Society, 2019, 141(24), 9521-9526

1-(3-Chlorophenyl)-1-hydroxy-2-propanone Raw materials

1-(3-Chlorophenyl)-1-hydroxy-2-propanone Preparation Products

1-(3-Chlorophenyl)-1-hydroxy-2-propanone Related Literature

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