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Chemical Structure| 129993-47-1
Chemical Structure| 129993-47-1
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Product Details of [ 129993-47-1 ]

CAS No. :129993-47-1 MDL No. :MFCD11054183
Formula : C5H7N3O Boiling Point : -
Linear Structure Formula :- InChI Key :AWDCMXSTPBEJMX-UHFFFAOYSA-N
M.W : 125.13 Pubchem ID :14532663
Synonyms :

Safety of [ 129993-47-1 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 129993-47-1 ]

* 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.

  • Upstream synthesis route of [ 129993-47-1 ]
  • Downstream synthetic route of [ 129993-47-1 ]

[ 129993-47-1 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 41716-18-1 ]
  • [ 129993-47-1 ]
YieldReaction ConditionsOperation in experiment
48%
Stage #1: With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 20℃; for 5 h;
Stage #2: With ammonia In methanol at 20℃;
To a solution of 1-methyl-1H-imidazole-4-carboxylic acid (1 g, 7.94 mmol) in DCM (10 mL) was added (COd)2 (2 g, 15.9 mmol) and DIVIF (2 drops). After stirred at room temperature for 5 hrs, the reaction mixture was evaporated in vacuum. The residue was then dissloved in 7 N NH3 in MeOH (10 mL). After stirred at room temperature overnight, the reaction mixture was evaporated in vacuum. The residue was purified by flash column chromatograph (ACN in water, 5percent to 60percent) to afford 1-methyl-1H-imidazole-4-carboxylic acid amide (480 mg, 48percent) as a white solid. ‘H NIVIR (400 IVIHz, DMSO-d6): ö = 7.62 (d, J= 11.6Hz, 2H), 7.24 (s, 1H), 7.03 (s, 1H), 3.68 (s, 3H).
Reference: [1] Patent: WO2018/132372, 2018, A1, . Location in patent: Paragraph 00411
  • 2
  • [ 26832-08-6 ]
  • [ 74-88-4 ]
  • [ 129993-47-1 ]
Reference: [1] Chemistry of Heterocyclic Compounds (New York, NY, United States), 1990, vol. 26, # 4, p. 407 - 409[2] Khimiya Geterotsiklicheskikh Soedinenii, 1990, # 4, p. 475 - 477
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