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[ CAS No. 917111-46-7 ] {[proInfo.proName]}

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Chemical Structure| 917111-46-7
Chemical Structure| 917111-46-7
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Product Details of [ 917111-46-7 ]

CAS No. :917111-46-7 MDL No. :MFCD08458185
Formula : C16H25BN2O4 Boiling Point : No data available
Linear Structure Formula :- InChI Key :OLBPVFHOZBPMJU-UHFFFAOYSA-N
M.W : 320.19 Pubchem ID :17998914
Synonyms :

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Signal Word:Warning Class:
Precautionary Statements:P280-P305+P351+P338 UN#:
Hazard Statements:H302 Packing Group:
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Application In Synthesis of [ 917111-46-7 ]

* 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 [ 917111-46-7 ]
  • Downstream synthetic route of [ 917111-46-7 ]

[ 917111-46-7 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 854074-39-8 ]
  • [ 917111-46-7 ]
  • [ 917111-44-5 ]
YieldReaction ConditionsOperation in experiment
57% With potassium carbonate In propan-1-ol; water; toluene at 100℃; for 17 h; EXAMPLE 18 N-Ethyl-N'-[2-methoxy-4-(5-methyl-4-[(1S)-1-pyridin-3-ylbutyl]amino}pyrimidin-2- yl)phenyl]urea Under a nitrogen atmosphere a mixture of 2-chloro-5-methyl-N-[(1S)-1-pyridin-3- ylbutyl] pyrimidin-4-amine (277 mg, 1.0 mmol) 4-[(ethylamino) carbonyl] amino}-3- methoxyphenylboronic acid pinacol diester (416 mg, 1.3 mmol), tetrakis (triphenylphosphine) palladium (0) (116 mg, 0.1 mmol) in toluene-n-propanol (12 mL, 3: 1) was treated with 2M aqueous sodium carbonate solution (750 uL, 1.5 mmol). The resulting mixture was stirred vigorously whilst being heated at 100 °C for 17 hours. Once cool ethyl acetate (25 mL) was added and the mixture washed with Ha0 (6 x 15 mL), brine (20 mL) and dried (Na2SO4). Removal of solvent in vacuo then yielded crude product, which was purified by column chromatography using dichloromethane-methanol- aqueous ammonia (93: 7: 1) as eluent to furnish the product (110 mg, 57percent). lH-n. m. r. (CDCl3) 8 0.99 (t, 3H,/=7. 4 Hz, CH3), 1.18 (t, 3H,/= 7.2 Hz, CH3), 1.33-1. 60 (m, 2H, CH2), 1.82-2. 02 (m, 2H, CH2), 2.11 (s, 3H, Ar-Me), 3.25-3. 39 (m, 2H, CH2), 3.87 (s, 3H, OMe), 4. 80-4. 96 (m, 2H, 2 x NH), 5.26-5. 36 (m, 1H, CH), 6.98 (br s, 1H, Ar-NHCONH), 7.22-7. 28 (m, 1H, ArH), 7. 67-7.72 (m, 2H, ArH), 7.83-7. 88 (m, 1H, ArH), 8.05 (d, 1H, J = 0.8 Hz, ArH), 8.10 (d, 1H, J = 8.2 Hz, ArH), 8.47 (dd, 1H, J = 6. 6,1. 8 Hz, ArH), 8. 69 (d, 1H, j= 2.0 Hz, ArH).
Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2009, vol. 19, # 16, p. 4639 - 4642
[2] Patent: WO2005/54199, 2005, A1, . Location in patent: Page/Page column 47-48; 65; 66;
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