Cas no 97443-80-6 (1-Bromo-2,4,6-tricyclohexylbenzene)

1-Bromo-2,4,6-tricyclohexylbenzene structure
97443-80-6 structure
Product Name:1-Bromo-2,4,6-tricyclohexylbenzene
CAS No:97443-80-6
MF:C24H35Br
MW:403.438706636429
CID:751056
PubChem ID:329767666
Update Time:2024-10-25

1-Bromo-2,4,6-tricyclohexylbenzene Chemical and Physical Properties

Names and Identifiers

    • Benzene, 2-bromo-1,3,5-tricyclohexyl-
    • 1-Bromo-2,4,6-tricyclohexylbenzene
    • 2-bromo-1,3,5-tricyclohexylbenzene
    • 2,4,6-Tricyclohexylbromobenzene
    • 2,4,6-Tricyclohexylphenyl bromide
    • 2-Bromo-1,3,5-tricyclohexylbenzene (ACI)
    • 1,3,5-Tricyclohexylbromobenzene
    • WAMFJXQPJPAGHX-UHFFFAOYSA-N
    • MFCD22370173
    • AC8603
    • SCHEMBL1484750
    • BS-45990
    • SY263187
    • DTXSID20736319
    • 1-Bromo-2,4,6-tricyclohexylbenzene, 90%
    • CS-0098522
    • 97443-80-6
    • (2-Bromobenzene-1,3,5-triyl)tricyclohexane
    • MDL: MFCD22370173
    • Inchi: 1S/C24H35Br/c25-24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(24)20-14-8-3-9-15-20/h16-20H,1-15H2
    • InChI Key: WAMFJXQPJPAGHX-UHFFFAOYSA-N
    • SMILES: BrC1C(C2CCCCC2)=CC(C2CCCCC2)=CC=1C1CCCCC1

Computed Properties

  • Exact Mass: 402.19221g/mol
  • Monoisotopic Mass: 402.19221g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 3
  • Complexity: 359
  • 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: 10.2
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • Melting Point: 140-163?°C

1-Bromo-2,4,6-tricyclohexylbenzene Security Information

1-Bromo-2,4,6-tricyclohexylbenzene Pricemore >>

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1-Bromo-2,4,6-tricyclohexylbenzene Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: N-Bromosuccinimide Solvents: Acetonitrile ,  Dichloromethane ;  30 min, 0 °C; 0 °C → rt; 12 h, rt
Reference
Chemically amplified resist composition and pattern forming process having high resolution and minimal line edge roughness
, United States, , ,

Production Method 2

Reaction Conditions
1.1 Reagents: Aluminum chloride ;  5 min, -40 °C; 30 min, -40 °C → rt
1.2 Reagents: Sodium bicarbonate Solvents: Hexane ,  Water
1.3 Reagents: Bromine Solvents: Trimethyl phosphate ;  5 min, 70 °C; 1.5 h, 70 °C
Reference
Enantioselective Synthesis of Highly Substituted Furans by a Copper(II)-Catalyzed Cycloisomerization-Indole Addition Reaction
Rauniyar, Vivek; Wang, Z. Jane; Burks, Heather E.; Toste, F. Dean, Journal of the American Chemical Society, 2011, 133(22), 8486-8489

Production Method 3

Reaction Conditions
1.1 Reagents: Bromine Solvents: Chloroform ;  0 °C; 0 °C → rt; 20 h, rt
Reference
Direct catalytic asymmetric synthesis of α-chiral bicyclo[1.1.1]pentanes
Wong, Marie L. J.; Sterling, Alistair J. ; Mousseau, James J.; Duarte, Fernanda ; Anderson, Edward A., Nature Communications, 2021, 12(1),

Production Method 4

Reaction Conditions
Reference
Mesomeric dipole moments. VII. Secondary steric effects in 2,4,6-trialkylated acetophenones and nitrobenzenes: dipole moments and carbon-13 NMR spectra
Koudelka, Juraj; Saman, David; Exner, Otto, Collection of Czechoslovak Chemical Communications, 1985, 50(1), 208-14

Production Method 5

Reaction Conditions
1.1 Reagents: Bromine Solvents: Chloroform ;  15 min, 0 °C; 0 °C → 40 °C; 3 h, 40 °C
Reference
An Alternative Synthesis of Cycloalkyl-Substituted CPA Catalysts and Application in Asymmetric Protonation Reactions
McLean, Liam A. ; Watson, Allan J. B., European Journal of Organic Chemistry, 2021, 2021(35), 4943-4945

Production Method 6

Reaction Conditions
1.1 Reagents: Bromine Solvents: Chloroform ;  10 min, rt → 0 °C; 0 °C → rt; 2 h, rt
1.2 Reagents: Sodium sulfite Solvents: Dichloromethane ,  Water ;  rt
Reference
Enantioselective Halogenative Semi-Pinacol Rearrangement: Extension of Substrate Scope and Mechanistic Investigations
Romanov-Michailidis, Fedor; Romanova-Michaelides, Maria; Pupier, Marion; Alexakis, Alexandre, Chemistry - A European Journal, 2015, 21(14), 5561-5583

Production Method 7

Reaction Conditions
1.1 Reagents: Bromine Solvents: Chloroform ;  10 min, 0 °C; 0 °C → rt; 2 h, rt
1.2 Reagents: Sodium sulfite Solvents: Dichloromethane ,  Water
Reference
Enantioselective Organocatalytic Fluorination-Induced Wagner-Meerwein Rearrangement
Romanov-Michailidis, Fedor; Guenee, Laure; Alexakis, Alexandre, Angewandte Chemie, 2013, 52(35), 9266-9270

Production Method 8

Reaction Conditions
1.1 Reagents: Bromine Solvents: Chloroform ;  15 min, 0 °C; 0 °C → rt; 2 h, rt
Reference
A New Biarylphosphine Ligand for the Pd-Catalyzed Synthesis of Diaryl Ethers under Mild Conditions
Salvi, Luca; Davis, Nicole R.; Ali, Siraj Z.; Buchwald, Stephen L., Organic Letters, 2012, 14(1), 170-173

Production Method 9

Reaction Conditions
1.1 Reagents: Bromine Solvents: Chloroform ;  2 h, 0 °C
Reference
Organocatalytic Kinetic Resolution of Sulfoximines
Dong, Shunxi; Frings, Marcus; Cheng, Hanchao; Wen, Jian; Zhang, Duo; et al, Journal of the American Chemical Society, 2016, 138(7), 2166-2169

1-Bromo-2,4,6-tricyclohexylbenzene Raw materials

1-Bromo-2,4,6-tricyclohexylbenzene Preparation Products

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