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Chemical Structure| 1132878-81-9 Chemical Structure| 1132878-81-9

Structure of 1132878-81-9

Chemical Structure| 1132878-81-9

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Product Details of [ 1132878-81-9 ]

CAS No. :1132878-81-9
Formula : C5H11NO2
M.W : 117.15
SMILES Code : OCC1(N)COCC1
MDL No. :MFCD18333897
InChI Key :OJPSWNKHXFWIQJ-UHFFFAOYSA-N
Pubchem ID :58134851

Safety of [ 1132878-81-9 ]

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

Application In Synthesis of [ 1132878-81-9 ]

* 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 [ 1132878-81-9 ]

[ 1132878-81-9 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 1132878-81-9 ]
  • 4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxylic acid [ No CAS ]
  • 4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-[3-(hydroxymethyl)tetrahydrofuran-3-yl]pyridine-2-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In N,N-dimethyl-formamide; at 20℃; for 0.5h; 4-[[2-(5-Chloro-2-hydroxy-phenyl)acetyl]amino]pyridine-2-carboxylic acid (Example 31 step 1) (150 mg, 0.49 mmol) and DIPEA (256.27 pL, 1.47 mmol) were suspended in DMF (2 mL) and treated with <strong>[1132878-81-9](3-aminotetrahydrofuran-3-yl)methanol</strong> (69 mg, 0.59 mmol) and HATU (223 mg, 0.59 mmol).The reaction mixture was stirred at room temperature for 30 mm and then partitioned between EtOAc (15 mL) and water (15 mL). The organic portionwas washed with sat. aq. NaHCO3 (10 mL). The combined aqueous washes were extracted with EtOAc (2 x 10 mL) and the combined organic extracts dried over Na2504 and concentrated in vacuo. Purification by chromatography on silica using a Biotage Isolera 1 ig KP-NH system, eluting with 0-15% DCM/MeOH afforded the titled compound as an off-white solid.1H NMR (500 MHz, DMSO-d6) O = 10.73 (5, 1H), 9.82 (5, 1H), 8.46 (d, J = 5.5 Hz, 1H),8.41 (5, 1H), 8.19 (d, J = 2.0 Hz, 1H), 7.82 (dd, J = 5.5, 2.2 Hz, 1H), 7.21 (d, J = 2.7 Hz,1H), 7.12 (dd, J = 8.6, 2.7 Hz, 1H), 6.80 (d, J = 8.6 Hz, 1H), 5.17 (5, 1H), 3.88-3.77 (m,4H), 3.67 (5, 2H), 3.62 - 3.59 (m, 2H), 2.34 -2.28 (m, 1 H), 2.00- 1.94 (m, 1 H). LC-MS (Method A): Rt 2.36 mins; MS m/z 406.3/408.3 = [M+H]+ (97% 215nm)
  • 2
  • [ 1080636-50-5 ]
  • [ 1132878-81-9 ]
  • (3-((3-(pyridin-2-yl)cyclobutyl)amino)tetrahydrofuran-3-yl)methanol [ No CAS ]
  • 3
  • [ 1132878-81-9 ]
  • 2-(4-((4-fluoro-3-methylphenyl)carbamoyl)-1,3,5-trimethyl-1H-pyrrol-2-yl)-2-oxoacetic acid [ No CAS ]
  • N-(4-fluoro-3-methylphenyl)-5-(2-((3-(hydroxymethyl)tetrahydrofuran-3-yl)amino)-2-oxoacetyl)-1,2,4-trimethyl-1H-pyrrole-3-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
General procedure: HATU (90 mg, 0.24 mmol) was added to a solution of 1g (60 mg, 0.19) in DMA (0.75 mL) at 0 C. After 20 min, tert-butylamine (20 mg, 0.28) and DIPEA (50 mg, 0.38 mmol) in DMA (0.4 mL) were added. The reaction mixture was stirred at rt for 20 hrs. The reaction mixture was quenched with aqueous TFA (4%, 0.4 mL), then, extracted with EtOAc (10 mL). The organic layer was washed with water and brine, concentrated in vacuo, then, purified by reverse phase chromatography eluted with ACN and water, and dried using lyophilization to afford the title product as white solid. ESI-MS, m/z 360 (MH)+.
 

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