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Chemical Structure| 42070-90-6 Chemical Structure| 42070-90-6

Structure of 42070-90-6

Chemical Structure| 42070-90-6

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Product Details of [ 42070-90-6 ]

CAS No. :42070-90-6
Formula : C9H12O
M.W : 136.19
SMILES Code : C[C@@H](O)C1=CC=CC=C1C
MDL No. :MFCD09863726

Safety of [ 42070-90-6 ]

Application In Synthesis of [ 42070-90-6 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 42070-90-6 ]

[ 42070-90-6 ] Synthesis Path-Downstream   1~4

  • 1
  • [ 611-14-3 ]
  • [ 7287-82-3 ]
  • [ 42070-90-6 ]
YieldReaction ConditionsOperation in experiment
With 1H-imidazole; [bis(acetoxy)iodo]benzene; C84H72ClFeN4O12S4(4-)*4Na(1+); In methanol; water; for 1h;Inert atmosphere; General procedure: Iron porphyrin complex 1 (1.6 mg, 1 mumol) and imidazole (0.68 mg, 10 mumol) was placed in a test tube under argon. Then, 0.8 ml of distilled methanol and 0.2 ml H2O were added, followed by ethylbenzene (106 mg, 1 mmol). PhI(OAc)2, (32 mg, 100 mumol) in 0.2 ml methanol was added over a period of 45 mn. After 1 h, the mixture was analysed by GC for oxidation yield, 46%, based on oxidant, and for epoxide enantiomeric excess, 75%. Polarimetric measurement of the oxidation product determined that (S)-(-)-1-phenylethanol was formed in excess. In addition to expected phenylethanol, acetophenone was also observed.The reaction and analysis of the other susbtrates in Table 1 were carried out in a manner identical with that used for ethylbenzene oxidation except for indane and tetrahydronaphtalene. In the latter case, enantiomeric excess was determined by chiral HPLC with a Chiralcel OB-H column: n-hexane/isopropanol=95/5; flow rate=0.5 ml min-1; wavelength=220 nm.
  • 2
  • [ 611-14-3 ]
  • [ 7287-82-3 ]
  • [ 42070-90-6 ]
  • [ 577-16-2 ]
YieldReaction ConditionsOperation in experiment
With [bis(acetoxy)iodo]benzene; chloro(5,10,15,20-tetrakis-(10-nitro-1,2,3,4,5,6,7,8-octahydro-1,4;5,8-dimethanoanthracen-9-yl)porphyrin) iron(III); In methanol; dichloromethane; water; for 2h;Inert atmosphere; General procedure: Iron porphyrin complex 5 (1.2 mg 1 mumol) and imidazole (0.34 mg, 10 mumol) were placed in a test tube under argon. Then, 1 ml of distilled CH2Cl2/MeOH/H2O mixture (0.5:0.4:0.1) was added, followed by ethylbenzene (106 mg, 1 mmol). PhI(OAc)2 (32 mg, 100 mumol) in 0.1 ml CH2Cl2 was added over a period of 1 h with a syringe-pump. After the addition of all the PhI(OAc)2, the reaction mixture was allowed to stir for an additional 1 h. The mixture was analyzed by GC for oxidation yield based on oxidant, 41 %, alcohol/ketone ratio, 83:17, and alcohol enantiomeric excess, 68 % (conditions used: 80 C (1 min), 1 C min-1 80-120 C, 2.5 C min-1 120-180 C). Polarimetric measurement of the oxidation product determined that (R)-(+)-1-phenyl ethanol was formed in excess. The reaction and analysis of the other substrates and catalysts in Table 3 were carried out in an identical manner with that used for ethylbenzene oxidation. Except for indane, the enantiomeric excess was determined by chiral HPLC with a Chiralcel OB-H column: n-hexane/isopropanol 95:5; flow rate: 0.5 ml min-1, detection: 220nm.
  • 3
  • [ 611-14-3 ]
  • [ 42070-90-6 ]
  • 4
  • [ 611-14-3 ]
  • [ 22927-13-5 ]
  • [ 767-90-8 ]
  • [ 7287-82-3 ]
  • [ 42070-90-6 ]
 

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