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CAS No. : | 66933-68-4 | MDL No. : | MFCD06382849 |
Formula : | C10H12N2O3 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | WNGUXTKNKZIMJC-UHFFFAOYSA-N |
M.W : | 208.21 | Pubchem ID : | 2474275 |
Synonyms : |
|
Signal Word: | Warning | Class: | |
Precautionary Statements: | P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305-P351-P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501 | UN#: | |
Hazard Statements: | H302-H315-H319-H335 | Packing Group: | |
GHS Pictogram: |
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* 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.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
(i), (ii) aq. HCl; Multistep reaction; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With triethylamine |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
(i) SOCl2, (ii) /BRN= 471281/, Py, benzene; Multistep reaction; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
(i) SOCl2, (ii) /BRN= 508690/, Py, benzene; Multistep reaction; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With triethylamine |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
(i) SOCl2, (ii) /BRN= 605631/, Py, benzene; Multistep reaction; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
63% | With triethylamine |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
for 240h; Ambient temperature; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
45% | With triethylamine In acetonitrile at 50 - 60℃; for 2h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
44% | With triethylamine In acetonitrile at 50 - 60℃; for 2h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With thionyl chloride |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With water In acetone for 200h; Ambient temperature; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: 45 percent / Et3N / acetonitrile / 2 h / 50 - 60 °C 2: 2.) H2O / 1.) benzene, 40 deg C, 2 h |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: 44 percent / Et3N / acetonitrile / 2 h / 50 - 60 °C 2: 2.) H2O / 1.) benzene, 1 h, room temperature |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: 63 percent / triethylamine 2: CH2Cl2 / 240 h | ||
Multi-step reaction with 2 steps 1: thionyl chloride 2: 88 percent / 0.5 h / 60 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: 63 percent / triethylamine 2: methanol; CH2Cl2 / 1 h / Ambient temperature | ||
Multi-step reaction with 2 steps 1: thionyl chloride 2: benzene |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: 63 percent / triethylamine 2: cyclopentylamine / acetonitrile; CH2Cl2 / 1 h / Ambient temperature | ||
Multi-step reaction with 2 steps 1: 63 percent / triethylamine 2: acetonitrile; CH2Cl2 / 1 h / Ambient temperature |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: (i) SOCl2, (ii) /BRN= 605631/, Py, benzene 2: PCl5, tetrachloroethane |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: (i) SOCl2, (ii) /BRN= 471281/, Py, benzene 2: PCl5, tetrachloroethane |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: (i) SOCl2, (ii) /BRN= 508690/, Py, benzene 2: PCl5, tetrachloroethane |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: 110 °C 2: hydrogenchloride; water / 7 h / 110 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1: methanol / tetrahydrofuran / 0 - 20 °C 2: 110 °C 3: hydrogenchloride; water / 7 h / 110 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With hydrogenchloride; water at 110℃; for 7h; | 70.70B 70B: compound 70A (120 mg, 0.56 mmol) was dissolved in morpholine (146 L, 1.68 mmol) and the red solution was stirred at 1 10°C overnight. 381.6 μ of an 8% aqueous hydrochloric acid solution (1.68 mmol) were added and this solution was stirred at 1 10°C for 7 hours. The dark solution was concentrated in vacuo and the brown oil was crystallized in water. Compound 70B was obtained as brown crystals (35.2 mg, 30 % yield). NMR (ppm, MeOD): 3.86-3.76 (m, 8H), 7.28 (dd, J = 3.1 and 7.4 Hz, 1H), 7.72 (d, J = 3.0 Hz, 1H), 8.18 (d, J = 7.4 Hz, 1 H). LCMS (+esi): 209.1 (M+H+). |
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