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[ CAS No. 354795-62-3 ]

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Cat. No.: {[proInfo.prAm]}
2D
Chemical Structure| 354795-62-3
Chemical Structure| 354795-62-3
Structure of 354795-62-3 *Storage: {[proInfo.prStorage]}

Quality Control of [ 354795-62-3 ]

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Product Details of [ 354795-62-3 ]

CAS No. :354795-62-3MDL No. :MFCD11878420
Formula : C4H6N2O Boiling Point : -
Linear Structure Formula :-InChI Key :N/A
M.W :98.10Pubchem ID :13804284
Synonyms :

Computed Properties of [ 354795-62-3 ]

TPSA : 52 H-Bond Acceptor Count : 3
XLogP3 : 0.1 H-Bond Donor Count : 1
SP3 : 0.25 Rotatable Bond Count : 0

Safety of [ 354795-62-3 ]

Signal Word:WarningClassN/A
Precautionary Statements:P280UN#:N/A
Hazard Statements:H302-H312-H332Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 354795-62-3 ]

  • Upstream synthesis route of [ 354795-62-3 ]
  • Downstream synthetic route of [ 354795-62-3 ]

[ 354795-62-3 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 1285517-11-4 ]
  • [ 354795-62-3 ]
YieldReaction ConditionsOperation in experiment
93% With trifluoroacetic acid In dichloromethane at 20℃; for 1.00 h; [0268j A mixture of tert-butyl (3-methylisoxazol-4-yl)carbamate (150 mg, 0.75 mmol) in TFA/DCM (10 mL, 1:1) was stirred at rt for 1 h. After concentrated, the residue was dissolved in DCM (20 mL) and solid K2C03 (1 g) was added. The solid was filtered off and the filtrate was concentrated to give crude title product (96 mg, yield: 93percent), which was used in nest step without further purification.
Reference: [1] Patent: WO2015/89337, 2015, A1. Location in patent: Paragraph 0268
[2] Patent: WO2011/38572, 2011, A1. Location in patent: Page/Page column 75
  • 2
  • [ 1122-05-0 ]
  • [ 354795-62-3 ]
Reference: [1] Journal of Organic Chemistry, 1987, vol. 52, # 13, p. 2714 - 2726
[2] Gazzetta Chimica Italiana, 1946, vol. 76, p. 123,129
[3] Gazzetta Chimica Italiana, 1941, vol. 71, p. 327,336
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