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Chemical Structure| 53636-19-4 Chemical Structure| 53636-19-4

Structure of 53636-19-4

Chemical Structure| 53636-19-4

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Product Details of [ 53636-19-4 ]

CAS No. :53636-19-4
Formula : C5H7ClO3
M.W : 150.56
SMILES Code : O=C(Cl)[C@H](OC(C)=O)C
MDL No. :MFCD27925055

Safety of [ 53636-19-4 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H314-H227-H290
Precautionary Statements:P501-P210-P234-P264-P280-P370+P378-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P403+P235-P406-P405
Class:8
UN#:3265
Packing Group:

Application In Synthesis of [ 53636-19-4 ]

* 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 [ 53636-19-4 ]

[ 53636-19-4 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 497959-29-2 ]
  • [ 53636-19-4 ]
  • methyl 2-{3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}ethanimidate [ No CAS ]
  • (1R)-1-[1-(2-chloro-4-fluorophenyl)-3-({3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}methyl)-1H-1,2,4-triazol-5-yl]ethyl acetate [ No CAS ]
YieldReaction ConditionsOperation in experiment
45% Under argon, a solution of methyl 2-{3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2- hydroxypropyl]-4,5-dihydro-1H-l,2,4-triazol-1-yl}ethanimidate (Example 2A, 250 mg, 660 muiotaetaomicron) in tetrahydrofuran (5.0 ml) was treated at 0C with N,N-diisopropylethylamine (340 mu, 2.0 mmol) and (2R)-1-chloro-1-oxopropan-2-yl acetate (55 mu, 730 mumol) and stirred at 0C for 30 min. (2- Chloro-4-fluorophenyl)hydrazine hydrochloride (1 : 1) (143 mg, 726 muiotaetaomicron) was added and the resulting mixture was stirred overnight at room temperature and 3 h at 120C under microwave irradiation. Purification by preparative HPLC (Method 4) afforded 178 mg (45% of th.) of the title compound as mixture of rotamers.LC-MS (Method 1): Rt = 1.10 min; MS (ESIpos): m/z = 603.2 [M+H]+-NMR (400 MHz, DMSO-d6) delta [ppm]: 7.99-7.28 (m, 7H), 6.89 (d, 1H), 5.95-5.50 (m, 1H), 5.10 (d, 2H), 4.40-4.219 (m, 1H), 4.09-3.72 (m, 2H), 1.92-1.70 (m, 3H), 1.53 (d, 3H).
  • 2
  • [ 117324-58-0 ]
  • [ 53636-19-4 ]
  • C14H14F3NO5 [ No CAS ]
 

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