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Chemical Structure| 1202245-51-9 Chemical Structure| 1202245-51-9

Structure of 1202245-51-9

Chemical Structure| 1202245-51-9

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Product Details of [ 1202245-51-9 ]

CAS No. :1202245-51-9
Formula : C5H10ClNO2
M.W : 151.59
SMILES Code : O=C([C@H]1CNCC1)O.[H]Cl
MDL No. :MFCD09954283
InChI Key :OYCLYMMIZJWYJG-PGMHMLKASA-N
Pubchem ID :43810916

Safety of [ 1202245-51-9 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P280-P305+P351+P338

Application In Synthesis of [ 1202245-51-9 ]

* 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 [ 1202245-51-9 ]

[ 1202245-51-9 ] Synthesis Path-Downstream   1~4

  • 1
  • [ 1266119-91-8 ]
  • [ 1202245-51-9 ]
  • [ 1266119-93-0 ]
YieldReaction ConditionsOperation in experiment
Example 263: (R)-l-[5-(4-ter/-Butyl-cyclohexyloxy)-benzothiazol-2-ylmethyl]-pyrrolidine-3- carboxylic acid (R)-Pyrrolidine-3-carboxylic acid (100 mg, 0.9 mmol) (HCl salt) was combined with N,N-Diisopropylethylamine (300 uL, 2 mmol) in Methanol (4.0 mL, 98 mmol) and stirred for 15 min. 5-(4-fer?-Butyl-cyclohexyloxy)-benzothiazole-2-carbaldehyde (1.0E2 mg, 0.33 mmol) was then added and the mixture was stirred at RT for 30 minutes. After 30 minutes the reaction was cooled to O0C and Sodium cyanoborohydride (100 mg, 2 mmol) was added in two portions. The reaction was then allowed to warm to RT while stirring overnight. The reaction was then purified directly on the Gilson (10-90% CH3CN/H2O (0.1% TFA), 19x150 cm C18, RT=8.6 min) The product was then dried on the highvac to give the title compound as a white solid. IH NMR (400MHz ,MeOD) Shift = 8.00 - 7.78 (m, 1 H), 7.69 - 7.51 (m, 1 H), 7.27 - 7.05 (m, 1 H), 5.09 - 4.93 (m, 3 H), 4.39 - 4.21 (m, 1 H), 4.01 - 3.39 (m, 4 H), 2.65 - 2.18 (m, 3 H), 2.01 - 1.80 (m, 2 H), 1.53 - 1.04 (m, 6 H), 0.92 (s, 9 H). MS (ESI, M+l): 417.30.
  • 2
  • [ 1266120-46-0 ]
  • [ 1202245-51-9 ]
  • [ 1266120-51-7 ]
YieldReaction ConditionsOperation in experiment
Example 290: (R)-l-{2-[6-(4-ter/-Butyl-cyclohexyloxy)-naphthalen-2-yl]-ethyl}-pyrrolidine- 3-carboxylic acidA mixture of (R)-pyrrolidine-3-carboxylic acid, HCl salt (54 mg, 0.35 mmol) and potassium carbonate (0.11 g, 0.79 mmol) in methanol (1.4 mL) was stirred for 15 min. The solids were then removed via filtration, and the filtrate was concentrated. The residue was added [6-(4- fer?-butyl-cyclohexyloxy)-naphthalen-2-yl]-acetaldehyde (57 mg, 0.18 mmol) and sodium triacetoxyborohydride (200 mg, 1 mmol) in 1,2-dichloroethane (2 mL) and acetic acid (0.14 mL, 2.4 mmol). After heating at 80 0C for 2 hrs, the reaction was diluted with dichloromethane and washed with 5% of citric acid aqueous. The organic phase was concentrated and residue was purified via HPLC to give solid as TFA salt (42 mg, yield: 44%). ESI-MS: 424.30 (M+H)+;
  • 3
  • [ 1202245-51-9 ]
  • C16H13BrClNO3 [ No CAS ]
  • C21H22BrClN2O4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
0.53 g Compound 5-1 (1g, 2.61mmol), 3-1 (600mg, 5.22mmol, dissolved in 1.5mL AcOH) was added to DCM, then 0.5g TEA was added, stirred at room temperature for 1h, and then NaBH(OAc)3(1.66 g, 7.83 mmol). After 12 hours, the TLC spot plate reaction was complete. The reaction solution was washed with saturated NaHCO3, extracted with DCM, dried with DCM, spin-dried, and purified by column (MeOH:DCM=1:20) to obtain 0.53 g of light yellow oily viscous material.
  • 4
  • [ 1202245-51-9 ]
  • C16H14BrNO3 [ No CAS ]
  • C21H23BrN2O4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
0.62 g Compound 1-3 (1g, 2.87mmol), 3-1 (661mg, 5.74mmol, dissolved in 1.5mL AcOH) was added to DCM, then 0.5g TEA was added, stirred at room temperature for 1h, and then NaBH(OAc)3(1.82 g, 8.61mmol). After 12 hours, the TLC spot plate reaction was complete. The reaction solution was washed with saturated NaHCO3, extracted with DCM, dried with DCM, spin-dried, and purified by column (MeOH:DCM=1:20) to obtain 0.62 g of light yellow oily viscous material.
 

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