Alternatived Products of [ 1017781-28-0 ]
Product Details of [ 1017781-28-0 ]
| CAS No. : | 1017781-28-0 |
MDL No. : | MFCD06738294 |
| Formula : |
C10H10FN3
|
Boiling Point : |
- |
| Linear Structure Formula : | - |
InChI Key : | - |
| M.W : |
191.21
|
Pubchem ID : | - |
| Synonyms : |
|
Safety of [ 1017781-28-0 ]
| Signal Word: | |
Class: | |
| Precautionary Statements: | |
UN#: | |
| Hazard Statements: | |
Packing Group: | |
Application In Synthesis of [ 1017781-28-0 ]
* 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 [ 1017781-28-0 ]
| Yield | Reaction Conditions | Operation in experiment |
|
In ethanol for 18h; Reflux; |
Intermediate PI Ethyl 3 -(5 -amino-3 -tert-butyl- 1 H- yrazol- 1 - vPbenzoate
General procedure: Intermediate PI Ethyl 3 -(5 -amino-3 -tert-butyl- 1 H- yrazol- 1 - vPbenzoate [00364] To a suspension of ethyl 3-hydrazinylbenzoate hydrochloride (500 mg, 2.31 mmol) in EtOH (20 mL) was added 4,4-dimethyl-3-oxopentanenitrile (318 mg, 2.54 mmol). The reaction mixture was heated to reflux for 18 hours, then cooled to ambient temperature and concentrated in vacuo. The crude product was purified by silica column chromatography, eluting with 0-5% MeOH/DCM to yield the product as a yellow oil (154 mg, 23% yield). MS (apci) m/z = 288.2 (M+H). |
|
In ethanol for 18h; Reflux; |
Intermediate PI Ethyl 3 -(5 -amino-3 -tert-butyl- 1 H-pyrazol- 1 - vDbenzoate
General procedure: 1005481 To a suspension of ethyl 3-hydrazinylbenzoate hydrochloride (500 mg, 2.31 mmol) in EtOH (20 mL) was added 4,4-dimethyl-3-oxopentanenitrile (318 mg, 2.54 mmol). The reaction mixture was heated to reflux for 18 hours, then cooled to ambient temperature and concentrated in vacuo. The crude product was purified by silica column chromatography, eluting with 0-5% MeOH/DCM to yield the product as a yellow oil (154 mg, 23% yield). |
|
In ethanol for 18h; Reflux; |
Intermediate PI Ethyl 3-(5-amino-3-tert-butyl-lH-pyrazol-l -vDbenzoate
General procedure: Intermediate PI Ethyl 3-(5-amino-3-tert-butyl-lH-pyrazol-l -vDbenzoate [00479] To a suspension of ethyl 3-hydrazinylbenzoate hydrochloride (500 mg, 2.31 mmol) in EtOH (20 mL) was added 4,4-dimethyl-3-oxopentanenitrile (318 mg, 2.54 mmol). The reaction mixture was heated to reflux for 18 hours, then cooled to ambient temperature and concentrated in vacuo. The crude product was purified by silica column chromatography, eluting with 0-5% MeOH/DCM to yield the product as a yellow oil (154 mg, 23% yield). MS (apci) m/z = 288.2 (M+H). |
|
In ethanol for 16h; Reflux; |
Intermediate P1 ethyl 3-(5-amino-3-tert-butyl-1H-pyrazol-1-yl)benzoate
General procedure: To a suspension of ethyl 3-hydrazinylbenzoate hydrochloride (500 mg, 2.31 mmol) in EtOH (20 mL) was added 4,4-dimethyl-3-oxopentanenitrile (318 mg, 2.54 mmol). The reaction mixture was heated to reflux for 18 hours, then cooled to ambient temperature and concentrated in vacuo. The crude product was purified by silica column chromatography, eluting with 0-5% MeOH/DCM to yield the product as a yellow oil (154 mg, 23% yield). MS (apci) m/z = 288.2 (M+H). |
|
In ethanol for 18h; Reflux; |
Intermediate P1
General procedure: Intermediate P1 Ethyl 3 -(5 -amino-3 -tert-butyl- 1 H-pyrazol- 1 -yl)benzoate1006771 To a suspension of ethyl 3-hydrazinylbenzoate hydrochloride (500 mg, 2.31 mmol) in EtOH (20 mL) was added 4,4-dimethyl-3-oxopentanenitrile (318 mg, 2.54 mmol). The reaction mixture was heated to reflux for 18 hours, then cooled to ambient temperature and concentrated in vacuo. The crude product was purified by silica column chromatography, eluting with 0-5% MeOH/DCM to yield the product as a yellow oil (154 mg, 23% yield). MS (apci) mlz = 288.2 (M+H). |
|
In ethanol for 18h; Reflux; |
Ethyl 3 -(5 -amino-3 -tert-butyl- 1 H-pyrazol- 1 -yDbenzoate
General procedure: To a suspension of ethyl 3-hydrazinylbenzoate hydrochloride (500 mg, 2.31 mmol) in EtOH (20 mL) was added 4,4-dimethyl-3-oxopentanenitrile (318 mg, 2.54 mmol). The reaction mixture was heated to reflux for 18 hours, then cooled to ambient temperature and concentrated in vacuo. The crude product was purified by silica column chromatography, eluting with 0-5% MeOH/DCM to yield the product as a yellow oil (154 mg, 23% yield). MS (apci) m/z = 288.2 (M+H). |
- 2
-
[ 1017781-28-0 ]
-
(2,4-bis(benzyloxy)-6-bromophenyl)(5-fluoroisoindolin-2-yl)methanone
[ No CAS ]
-
C39H33FN4O3
[ No CAS ]
| Yield | Reaction Conditions | Operation in experiment |
|
With palladium diacetate; caesium carbonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene In toluene at 130℃; for 16h; Inert atmosphere; Sealed tube; |
|
Reference：
[1]Marcyk, Paul T.; Leblanc, Emmanuelle V.; Kuntz, Douglas A.; Xue, Alice; Ortiz, Francisco; Trilles, Richard; Bengtson, Stephen; Kenney, Tristan M. G.; Huang, David S.; Robbins, Nicole; Williams, Noelle S.; Krysan, Damian J.; Privé, Gilbert G.; Whitesell, Luke; Cowen, Leah E.; Brown, Lauren E.
[Journal of Medicinal Chemistry, 2021, vol. 64, # 2, p. 1139 - 1169]
Chemistry
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Material Science
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