Cas no 944268-58-0 (1-(2-Bromo-3-methylphenyl)ethanone)

1-(2-Bromo-3-methylphenyl)ethanone structure
944268-58-0 structure
Product Name:1-(2-Bromo-3-methylphenyl)ethanone
CAS No:944268-58-0
MF:C9H9BrO
MW:213.071161985397
MDL:MFCD22573015
CID:1092892
Update Time:2024-10-25

1-(2-Bromo-3-methylphenyl)ethanone Chemical and Physical Properties

Names and Identifiers

    • 1-(2-Bromo-3-methylphenyl)ethanone
    • KFBAJJMHDBXFIB-UHFFFAOYSA-N
    • FCH2290455
    • 1-(2-bromo-3-methylphenyl)ethan-1-one
    • Ethanone, 1-(2-bromo-3-methylphenyl)-
    • AX8284967
    • 1-(2-Bromo-3-methylphenyl)ethanone (ACI)
    • MDL: MFCD22573015
    • Inchi: 1S/C9H9BrO/c1-6-4-3-5-8(7(2)11)9(6)10/h3-5H,1-2H3
    • InChI Key: KFBAJJMHDBXFIB-UHFFFAOYSA-N
    • SMILES: O=C(C)C1C(Br)=C(C)C=CC=1

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 156
  • Topological Polar Surface Area: 17.1

1-(2-Bromo-3-methylphenyl)ethanone Pricemore >>

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1-(2-Bromo-3-methylphenyl)ethanone Production Method

Production Method 1

Reaction Conditions
1.1 Solvents: Diethyl ether ;  0 °C; 0 °C → rt; overnight, rt
1.2 Reagents: Hydrochloric acid Solvents: Water ;  cooled
Reference
Enantioselective Bromo-oxycyclization of Silanol
Xia, Zilei; Hu, Jiadong; Shen, Zhigao; Wan, Xiaolong; Yao, Qizheng; et al, Organic Letters, 2016, 18(1), 80-83

Production Method 2

Reaction Conditions
1.1 Reagents: Oxalyl chloride Catalysts: Dimethylformamide Solvents: Dichloromethane ;  0 °C; 0 °C → rt; 2 h, rt
1.2 Catalysts: Cuprous iodide Solvents: Diethyl ether ,  Tetrahydrofuran ;  rt → -78 °C; -78 °C → rt; 2 h, rt
Reference
Construction of axial chirality via palladium/chiral norbornene cooperative catalysis
Liu, Ze-Shui; Hua, Yu; Gao, Qianwen; Ma, Yuanyuan; Tang, Hua; et al, Nature Catalysis, 2020, 3(9), 727-733

Production Method 3

Reaction Conditions
1.1 Solvents: Tetrahydrofuran ;  0 °C
Reference
Annulative Morita-Baylis-Hillman reaction to synthesise chiral dibenzocycloheptanes
Mondal, Atanu; Shivangi; Tung, Pinku; Wagulde, Siddhant V.; Ramasastry, S. S. V., Chemical Communications (Cambridge, 2021, 57(73), 9260-9263

Production Method 4

Reaction Conditions
1.1 Reagents: Thionyl chloride ;  2 h, reflux; reflux → rt
1.2 Reagents: Triethylamine ,  Magnesium chloride Solvents: Acetonitrile ;  0 °C; 2.5 h, rt; cooled
1.3 Solvents: Acetonitrile ;  cooled; overnight, rt; 0 °C
1.4 Reagents: Sulfuric acid Solvents: Acetic acid ,  Water ;  3 h, reflux; reflux → rt
1.5 Reagents: Water ;  cooled
Reference
Preparation of phenylacetic acid derivatives as inhibitors of viral replication
, World Intellectual Property Organization, , ,

Production Method 5

Reaction Conditions
1.1 Reagents: Sodium nitrite ,  Hydrogen bromide Solvents: Water ;  15 min, 0 °C
1.2 Reagents: Copper bromide (CuBr) ,  Hydrogen bromide ;  60 °C; 30 min, 95 °C; cooled
1.3 Reagents: Water
Reference
Preparation of 2-benzylimidazole derivatives as parasiticides
, United States, , ,

1-(2-Bromo-3-methylphenyl)ethanone Raw materials

1-(2-Bromo-3-methylphenyl)ethanone Preparation Products

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