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[ CAS No. 1359072-90-4 ]

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2D
Chemical Structure| 1359072-90-4
Chemical Structure| 1359072-90-4
Structure of 1359072-90-4 *Storage: {[proInfo.prStorage]}

Quality Control of [ 1359072-90-4 ]

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SDS
Alternatived Products of [ 1359072-90-4 ]
Alternatived Products of [ 1359072-90-4 ]

Product Details of [ 1359072-90-4 ]

CAS No. :1359072-90-4MDL No. :MFCD28347727
Formula : C14H18N2O3 Boiling Point : -
Linear Structure Formula :-InChI Key :N/A
M.W :262.30Pubchem ID :59833300
Synonyms :

Computed Properties of [ 1359072-90-4 ]

TPSA : - H-Bond Acceptor Count : -
XLogP3 : - H-Bond Donor Count : -
SP3 : - Rotatable Bond Count : -

Safety of [ 1359072-90-4 ]

Signal Word:WarningClass:N/A
Precautionary Statements:P261-P305+P351+P338UN#:N/A
Hazard Statements:H302-H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1359072-90-4 ]

  • Downstream synthetic route of [ 1359072-90-4 ]

[ 1359072-90-4 ] Synthesis Path-Downstream   1~4

  • 1
  • [ 1359072-90-4 ]
  • 4-methyl-1,4-diazepan-5-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
80% With palladium 10% on activated carbon; hydrogen; In methanol; at 20℃; Step 1: To a solution of benzyl 5-oxo-1,4-diazepane-1-carboxylate (2.06 g, 8.3 mmol) in THF (12mL) at 0 C was added NaH (0.4 g, 10 mmol, 60% dispersion in mineral oil) and the mixture was stirred at 0 C. After 15 min, MeI (2.36 g, 16.6 mmol) was added and the mixture was stirred at 0 C and monitored by LC/MS. After 1 hour, the reaction was quenched by addition of NaHCO3 and the mixture was extracted with DCM. The organic layers were dried over Na2SO4 and solvent was removed to give 2.1 g (96%) of alkylated product.Step 2: To a solution of the above product (2.1 g, 8 mmol) in MeOH (5 mL) was added Pd/C (400 mg, 10%) and the reaction mixture was stirred at r.t. under hydrogen. After completion of the reaction, the mixture was filtered through celite. Solvent was removed under vacuum to give 0.82 g (80%) of 4-methyl-1,4-diazepan-5-one.
  • 2
  • [ 1359072-90-4 ]
  • 1-(5-tert-butyl-3-(4-methyl-5-oxo-1,4-diazepane-1-carbonyl)thiophen-2-yl)-3-(2,3-dichlorophenyl)urea [ No CAS ]
  • 3
  • [ 18158-16-2 ]
  • [ 74-88-4 ]
  • [ 1359072-90-4 ]
YieldReaction ConditionsOperation in experiment
96% Step 1: To a solution of benzyl 5-oxo-1,4-diazepane-1-carboxylate (2.06 g, 8.3 mmol) in THF (12mL) at 0 C was added NaH (0.4 g, 10 mmol, 60% dispersion in mineral oil) and the mixture was stirred at 0 C. After 15 min, MeI (2.36 g, 16.6 mmol) was added and the mixture was stirred at 0 C and monitored by LC/MS. After 1 hour, the reaction was quenched by addition of NaHCO3 and the mixture was extracted with DCM. The organic layers were dried over Na2SO4 and solvent was removed to give 2.1 g (96%) of alkylated product. Step 2: To a solution of the above product (2.1 g, 8 mmol) in MeOH (5 mL) was added Pd/C (400 mg, 10%) and the reaction mixture was stirred at r.t. under hydrogen. After completion of the reaction, the mixture was filtered through celite. Solvent was removed under vacuum to give 0.82 g (80%) of 4-methyl-1,4-diazepan-5-one.
  • 4
  • [ 1359072-90-4 ]
  • 1-(6-chloro-4-(3-cyclopropyl-1H-pyrazol-5-ylamino)quinazolin-2-yl)-4-methyl-1,4-diazepan-5-one [ No CAS ]
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