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Chemical Structure| 24391-41-1 Chemical Structure| 24391-41-1

Structure of 24391-41-1

Chemical Structure| 24391-41-1

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Product Details of [ 24391-41-1 ]

CAS No. :24391-41-1
Formula : C7H3ClN4
M.W : 178.58
SMILES Code : ClC1=NC=NC2=C1C(=C[NH]2)C#N
MDL No. :MFCD12406095
InChI Key :NEWCOPCSNFUQQY-UHFFFAOYSA-N
Pubchem ID :22484542

Safety of [ 24391-41-1 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of [ 24391-41-1 ]

* 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.

  • Downstream synthetic route of [ 24391-41-1 ]

[ 24391-41-1 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 64-18-6 ]
  • [ 1228947-14-5 ]
  • [ 24391-41-1 ]
  • 4-(trans-(4-morpholinocyclohexyl)oxy)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile*0.7(formic acid) [ No CAS ]
YieldReaction ConditionsOperation in experiment
34% To a solution of trans-4-(morpholin-4-yl)cyclohexan-l-ol (520 mg, 2.81 mmol, 5.01 equiv) in tetrahydrofuran (10 mL) was added sodium hydride (360 mg, 9.00 mmol, 16.07 equiv, 60%)). The resulting solution was stirred for 0.5 h at 0C. Then 4-chloro-7H-pyrrolo[2,3- d]pyrimidine-5-carbonitrile (100 mg, 0.56 mmol, 1.00 equiv) was added. The resulting solution was stirred for 16 h at 70C. The reaction was then quenched by the addition of 2 mL of water. The resulting mixture was concentrated under vacuum. The crude product (100 mg) was purified by Prep-HPLC with the following conditions: Column, Xbridge Prep CI 8 5um, 19* 150mm; mobile phase, water with 0.1% HCOOH and CH3CN (5.0% CH3CN up to 40.0% in 12 min, up to 92.0% in 2 min, down to 5.0% in 2 min); Detector, 220/254nm. This resulted in 70.2 mg (34%) of 4-(tra/75-(4-morpholinocyclohexyl)oxy)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile as a white solid. LC-MS: (ES,m z): 328[M-0.7HCOOH+H] + 1H NMR (300 MHz, DMSO, ppm): 51.54-1.88 (m, 4H), 2.13-2.14 (m, 2H), 2.16-2.23 (m, 2H), 2.27-2.29 (m, 1H), 2.45-2.55 (m, 4H), 3.46-3.55 (m, 4H), 5.14-5.21 (m, 1H) , 8.09 (s, 0.7H), 8.27 (s, 1H), 8.50 (s, 1H), 12.97 (brs, 0.9H).
 

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