Cas no 948592-54-9 (4-Chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol)

4-Chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol structure
948592-54-9 structure
Product Name:4-Chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
CAS No:948592-54-9
MF:C12H16BClO3
MW:254.517642974854
CID:2191410
PubChem ID:53486836
Update Time:2024-10-25

4-Chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol Chemical and Physical Properties

Names and Identifiers

    • 4-Chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
    • MTZMRMZJCYVKSJ-UHFFFAOYSA-N
    • MB15058
    • 4-Chloro-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenol
    • 2-[2-chloro-5-hydroxyphenyl]-4,4,5,5-tetramethyl-[1,3,2]-dioxaborolane
    • 4-Chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol (ACI)
    • 2-(2-Chloro-5-hydroxyphenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane
    • DTXSID60705160
    • 948592-54-9
    • MFCD16877431
    • E75995
    • BS-49343
    • 4-chloro-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
    • CS-0151395
    • EN300-12604084
    • DB-106711
    • SCHEMBL264135
    • Inchi: 1S/C12H16BClO3/c1-11(2)12(3,4)17-13(16-11)9-7-8(15)5-6-10(9)14/h5-7,15H,1-4H3
    • InChI Key: MTZMRMZJCYVKSJ-UHFFFAOYSA-N
    • SMILES: ClC1=CC=C(C=C1B1OC(C)(C)C(C)(C)O1)O

Computed Properties

  • Exact Mass: 254.0881022g/mol
  • Monoisotopic Mass: 254.0881022g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 1
  • Complexity: 280
  • 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
  • Topological Polar Surface Area: 38.7

4-Chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol Pricemore >>

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4-Chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol Production Method

Production Method 1

Reaction Conditions
1.1 Solvents: Tetrahydrofuran ;  15 h, rt
Reference
Pyridine derivatives as voltage-gated sodium channel modulators and their preparation, pharmaceutical compositions and use in the treatment of pain
, World Intellectual Property Organization, , ,

Production Method 2

Reaction Conditions
1.1 Solvents: Toluene ;  2 h, 120 °C
Reference
Azetidine derivatives as inhibitors of fatty acid amide hydrolase useful in the treatment of diseases and preparation and pharmaceutical compositions thereof
, World Intellectual Property Organization, , ,

Production Method 3

Reaction Conditions
Reference
Azetidine derivatives as faah inhibitors
, United States, , ,

4-Chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol Raw materials

4-Chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol Preparation Products

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