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Chemical Structure| 876-27-7 Chemical Structure| 876-27-7

Structure of 876-27-7

Chemical Structure| 876-27-7

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Product Details of [ 876-27-7 ]

CAS No. :876-27-7
Formula : C8H7ClO2
M.W : 170.59
SMILES Code : CC(OC1=CC=C(Cl)C=C1)=O
MDL No. :MFCD00623648
InChI Key :KEUPLGRNURQXAR-UHFFFAOYSA-N
Pubchem ID :13410

Safety of [ 876-27-7 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338

Application In Synthesis of [ 876-27-7 ]

* 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 [ 876-27-7 ]

[ 876-27-7 ] Synthesis Path-Downstream   1~4

  • 1
  • [ 13031-43-1 ]
  • [ 24573-38-4 ]
  • [ 261172-44-5 ]
  • [ 876-27-7 ]
  • 2
  • [ 93-54-9 ]
  • [ 876-27-7 ]
  • [ 1565-74-8 ]
  • [ 613-87-6 ]
  • (R)-1-phenylpropyl acetate [ No CAS ]
YieldReaction ConditionsOperation in experiment
With η-p-cymene dichloro(pyridine)ruthenium(II); potassium tert-butylate; sodium carbonate; In toluene; at 70℃; for 48h;Inert atmosphere; Schlenk technique; Enzymatic reaction; General procedure: To a 25 mL Schlenk tube containing 5 mL toluene, Ru or Ir complex (0.01 mmol, 2.0 mol%) and potassium tert-butoxide (0.04mmol, 5.0mol%) were added and stirred for 10min. Sodium carbonate (0.5mmol), alcohol (0.5mmol), acylating agents (1.5mmol) and Novozym-435 (10mg) were then added. The solvent was then stirred for 24hat 60C or 70C. After evaporation to dryness, the mixture was loaded to a 10×3cm silica column. Elution with petroleum ether removed any alcohol. The product was eluted with 3:50 ethyl acetate/petroleum ether, and the solvent removed to give an oily mixture. The yield was directly determined by 1H NMR. Enantiomeric excesses were determined by specific rotation, HPLC or GC.
  • 3
  • [ 93-54-9 ]
  • [ 876-27-7 ]
  • [ 613-87-6 ]
  • (R)-1-phenylpropyl acetate [ No CAS ]
YieldReaction ConditionsOperation in experiment
68%Spectr. With [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2; potassium tert-butylate; sodium carbonate; In toluene; at 70℃; for 48h;Inert atmosphere; Schlenk technique; Enzymatic reaction; General procedure: To a 25 mL Schlenk tube containing 5 mL toluene, Ru or Ir complex (0.01 mmol, 2.0 mol%) and potassium tert-butoxide (0.04mmol, 5.0mol%) were added and stirred for 10min. Sodium carbonate (0.5mmol), alcohol (0.5mmol), acylating agents (1.5mmol) and Novozym-435 (10mg) were then added. The solvent was then stirred for 24hat 60C or 70C. After evaporation to dryness, the mixture was loaded to a 10×3cm silica column. Elution with petroleum ether removed any alcohol. The product was eluted with 3:50 ethyl acetate/petroleum ether, and the solvent removed to give an oily mixture. The yield was directly determined by 1H NMR. Enantiomeric excesses were determined by specific rotation, HPLC or GC.
  • 4
  • [ 876-27-7 ]
  • [ 120121-01-9 ]
  • [ 136705-69-6 ]
  • [ 1103679-61-3 ]
 

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