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Type HazMat fee for 500 gram (Estimated)
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Chemical Structure| 29559-55-5 Chemical Structure| 29559-55-5

Structure of 29559-55-5

Chemical Structure| 29559-55-5

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Product Details of [ 29559-55-5 ]

CAS No. :29559-55-5
Formula : C5H10Cl2
M.W : 141.03
SMILES Code : CC(C)(CCl)CCl
MDL No. :MFCD00039363
InChI Key :KTWNITKLQPCZSL-UHFFFAOYSA-N
Pubchem ID :122408

Safety of [ 29559-55-5 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H225-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338
Class:3
UN#:1993
Packing Group:

Application In Synthesis of [ 29559-55-5 ]

* 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 [ 29559-55-5 ]

[ 29559-55-5 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 29559-55-5 ]
  • [ 14381-51-2 ]
  • 1-(3,3-dimethyl-3,4-dihydro-2H-benzo[b][1,4]dioxepin-6-yl)piperazine [ No CAS ]
  • 2
  • [ 29559-55-5 ]
  • [ 14381-51-2 ]
  • 6-bromo-3,3-dimethyl-3,4-dihydro-2H-benzo[b][1,4]dioxepin [ No CAS ]
YieldReaction ConditionsOperation in experiment
14% [00186] A solution of compound 1-3 (500 mg, 2.65 mmol) and potassium hydroxide (326 mg, 5.82 mmol) in DMSO (5 ml_) was stirred under nitrogen atmosphere at room temperature for 30 min, then 2,2- dimethyl-1 ,3-dichloropropane (746 mg, 5.3 mmol) was added at room temperature. The reaction mixture was stirred at 100°C overnight, cooled, diluted with water and extracted with ethyl acetate, the combined ethyl acetate was dried over anhydrous Na2SO4, concentrated and purified by column chromatography on silica gel (petroleum ether/ethyl acetate from 100 to 20:1) to give 100 mg of compound 90-1 as yellow oil (yield 14percent). [00187] 1H NMR deltaEta (400 MHz; CDCI3):1.07 (s, 6H), 3.85 (s, 2H), 3.92 (s, 2H), 6.70 (t, J = 8.0 Hz, 1 H), 6.90 (dd, J = 8.0, 1.2 Hz, 1 H). 7.18 (dd, J = 8.0, 1.2 Hz, 1 H).
 

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