Cas no 920304-57-0 (2-4-(Diethylamino)phenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane)

2-4-(Diethylamino)phenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane structure
920304-57-0 structure
Product Name:2-4-(Diethylamino)phenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CAS No:920304-57-0
MF:C16H26BNO2
MW:275.1941447258
MDL:MFCD10000956
CID:757662
PubChem ID:87559845
Update Time:2024-10-26

2-4-(Diethylamino)phenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane Chemical and Physical Properties

Names and Identifiers

    • Benzenamine,N,N-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
    • N,N-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
    • N,N-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)Benzenamine
    • 4-(Diethylamino)phenylboronic Acid Pinacol Ester
    • 2-[4-(Diethylamino)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
    • WVPMYKCIKQQJIV-UHFFFAOYSA-N
    • N,N-diethyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
    • OR16404
    • D3601
    • 4-(Diethylamino)phenylboronic Acid Pinaco
    • N,N-Diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenamine (ACI)
    • 4,4,5,5-Tetramethyl-2-(4-diethylaminophenyl)-1,3,2-dioxaborolane
    • Diethyl[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]amine
    • N-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N,N-diethylamine
    • BCP31412
    • AKOS015838659
    • 920304-57-0
    • Z2044807255
    • AS-55614
    • CS-0176004
    • SCHEMBL1091446
    • EN300-1674533
    • 2-[4-(Diethylamino)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4-(Diethylamino)phenylboronic Acid Pinacol Ester
    • 4-(Diethylamino)benzeneboronic acid,pinacol ester
    • MFCD10000956
    • Diethyl-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-amine
    • T71460
    • DTXSID30659782
    • DA-40518
    • 2-4-(Diethylamino)phenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
    • MDL: MFCD10000956
    • Inchi: 1S/C16H26BNO2/c1-7-18(8-2)14-11-9-13(10-12-14)17-19-15(3,4)16(5,6)20-17/h9-12H,7-8H2,1-6H3
    • InChI Key: WVPMYKCIKQQJIV-UHFFFAOYSA-N
    • SMILES: O1C(C)(C)C(C)(C)OB1C1C=CC(N(CC)CC)=CC=1

Computed Properties

  • Exact Mass: 275.20600
  • Monoisotopic Mass: 275.206
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 4
  • Complexity: 304
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 21.7

Experimental Properties

  • Density: 0.995
  • Boiling Point: 377.028°C at 760 mmHg
  • Flash Point: 181.82°C
  • Refractive Index: 1.504
  • PSA: 21.70000
  • LogP: 2.83200

2-4-(Diethylamino)phenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane Security Information

2-4-(Diethylamino)phenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane Pricemore >>

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2-4-(Diethylamino)phenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Potassium acetate Catalysts: [1,1′-Bis(diphenylphosphino)ferrocene]dichloropalladium Solvents: 1,4-Dioxane ;  overnight, 85 °C
Reference
Deazapurines, thienopyrimidines and furopyrimidines as phosphoinositide 3-kinase inhibitors with a zinc binding moiety and their preparation and use in the treatment of diseases
, United States, , ,

Production Method 2

Reaction Conditions
1.1 Catalysts: 1,10-Phenanthroline ,  Bis[(1,2,5,6-η)-1,5-cyclooctadiene]di-μ-methoxydiiridium Solvents: Cyclohexane ;  2 min, rt
1.2 12 h, 40 °C
Reference
Meta Selective C-H Borylation of Sterically Biased and Unbiased Substrates Directed by Electrostatic Interaction
Chaturvedi, Jagriti; Haldar, Chabush; Bisht, Ranjana; Pandey, Gajanan; Chattopadhyay, Buddhadeb, Journal of the American Chemical Society, 2021, 143(20), 7604-7611

Production Method 3

Reaction Conditions
1.1 Reagents: Potassium acetate Catalysts: [1,1′-Bis(diphenylphosphino)ferrocene]dichloropalladium Solvents: 1,4-Dioxane ;  overnight, 85 °C
Reference
Treatment of cancers having k-ras mutations using PI3 kinase and HDAC inhibitors and preparation of bifunctional thienopyrimidine compounds that inhibit both enzymes
, World Intellectual Property Organization, , ,

Production Method 4

Reaction Conditions
1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran ,  Hexane ;  -78 °C; 1 h, -78 °C
1.2 -78 °C; -78 °C → rt; 12 h, rt
1.3 Reagents: Hydrochloric acid Solvents: Water ;  neutralized, rt
Reference
Synthesis and biological activity of new 4-(pyridin-4-yl)-(3-methoxy-5-methylphenyl)-1H-pyrazoles derivatives as ROS receptor tyrosine kinase inhibitors
Park, Byung Sun; El-deeb, Ibrahim M.; Yoo, Kyung Ho; Han, Dong Keun; Tae, Jin Sung; et al, Bulletin of the Korean Chemical Society, 2012, 33(11), 3629-3634

Production Method 5

Reaction Conditions
1.1 Reagents: Sodium hydride Solvents: Tetrahydrofuran ;  overnight, rt
Reference
Preparation of pyridopyrazine compounds as novel syk inhibitors
, World Intellectual Property Organization, , ,

Production Method 6

Reaction Conditions
1.1 Reagents: Sodium hydride Solvents: Tetrahydrofuran ;  overnight, rt
Reference
Preparation of pyridopyrazine derivatives for use as Syk inhibitors
, World Intellectual Property Organization, , ,

Production Method 7

Reaction Conditions
1.1 Reagents: Sodium hydride Solvents: Dimethylformamide ;  rt → 0 °C; 30 min, 0 °C
1.2 0 °C; 0 °C → rt; 3 d, rt
Reference
Preparation of benzo[a]carbazole and indeno[1,2-b]indole derivatives as TPO mimetics
, World Intellectual Property Organization, , ,

Production Method 8

Reaction Conditions
1.1 Catalysts: 1,10-Phenanthroline ,  Bis[(1,2,5,6-η)-1,5-cyclooctadiene]di-μ-methoxydiiridium Solvents: Cyclohexane ;  12 h, 40 °C
Reference
Electrostatically Directed meta Selective Borylation of Arenes
Chaturvedi, Jagriti; Haldar, Chabush; Chattopadhyay, Buddhadeb, Synlett, 2022, 33(12), 1108-1116

2-4-(Diethylamino)phenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane Raw materials

2-4-(Diethylamino)phenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane Preparation Products

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