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Chemical Structure| 37865-96-6 Chemical Structure| 37865-96-6

Structure of 37865-96-6

Chemical Structure| 37865-96-6

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Product Details of [ 37865-96-6 ]

CAS No. :37865-96-6
Formula : C6H11BrO2
M.W : 195.05
SMILES Code : CC1(CCBr)OCCO1
MDL No. :MFCD00191321
InChI Key :SZLPRRVCSGZARF-UHFFFAOYSA-N
Pubchem ID :11805619

Safety of [ 37865-96-6 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H227-H315-H319
Precautionary Statements:P210-P264-P280-P302+P352-P337+P313-P362+P364-P332+P313

Application In Synthesis of [ 37865-96-6 ]

* 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 [ 37865-96-6 ]

[ 37865-96-6 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 37865-96-6 ]
  • [ 51304-61-1 ]
  • 4-(4-chlorophenyl)-1-<3,3-(ethylenedioxy)butyl>-1,2,5,6-tetrahydropyridine [ No CAS ]
  • 2
  • [ 37865-96-6 ]
  • [ 85290-78-4 ]
  • ethyl 3-methyl-1-(2-(2-methyl-1,3-dioxolan-2-yl)ethyl)-1H-pyrazole-4-carboxylate [ No CAS ]
  • ethyl 5-methyl-1-(2-(2-methyl-1,3-dioxolan-2-yl)ethyl)-1H-pyrazole-4-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
43%; 18% With caesium carbonate; In acetonitrile; at 65℃; for 2h;Sealed tube; Ethyl 3-methyl-i -(2-(2-methyl- 1 ,3-dioxolan-2-yl)ethyl)- 1H- pyrazole-4-carboxylate: A mixture of ethyl 3-methyl- 1H-pyrazole-4-carboxylate (79.3 mg, 0.5 14 mmol), 2-(2-bromoethyl)-2-methyl-i,3-dioxolane (140 mg, 0.7 18 mmol andCsCO (251 mg, 0.772 mmol) in acetonitrile (8 mL) was stirred at 65 C in a sealed tube for 2 h. The solid was removed by filtration. The filtrate was concentrated in vacuo to give a cmde product which was dissolved in EtOAc (30 mL). The organic layer was washed with H20 (10 mL), brine, dried (MgSO4), filtered and concentrated under reduced pressure to afford a crude residue. The residue was purified by flash chromatography(silica gel, hexanes:EtOAc, 100:0 to 50:50) to afford Intermediate 18 (60 mg, 43% yield) as a yellow oil: ?H NMR (500 MHz, Chloroform-d) oe 7.75 (s, 1H), 4.19 (q, J = 7.1 Hz, 2H), 4.12-4.05 (m, 2H), 3.95 -3.82 (m, 4H), 2.38 (s, 3H), 2.21 -2.15 (m, 2H), 1.26 (t, J 7.1 Hz, 3H), 1.25 (s, 3H). LCMS (ES): m/z 269.4 [M+Hj +Intermediate 19. Ethyl 5-methyl-i -(2-(2-methyl- 1 ,3-dioxolan-2-yl)ethyl)- 1H-pyrazole-4-carboxylate: The above chromatography also yielded Intermediate 19 (25 mg,18% yield): ?H NMR (500 MHz, Chloroform-d) oe 7.75 (s, 1H), 4.19 (q, J = 7.1 Hz, 2H),4.12-4.05 (m, 2H), 3.94-3.83 (m, 4H), 2.37 (s, 3H), 2.22-2.14 (m, 2H), 1.26 (t, J=7.1 Hz, 3H), 1.25 (s, 3H). LCMS (ES): m/z269.4 [M+Hf.
 

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