Alternatived Products of [ 1198300-79-6 ]
Product Details of [ 1198300-79-6 ]
| CAS No. : | 1198300-79-6 |
MDL No. : | N/A |
| Formula : |
C20H27N7O3S
|
Boiling Point : |
- |
| Linear Structure Formula : | - |
InChI Key : | BGLPECHZZQDNCD-UHFFFAOYSA-N |
| M.W : |
445.54
|
Pubchem ID : | 44595079 |
| Synonyms : |
PRT062070;PRT2070
|
Safety of [ 1198300-79-6 ]
| Signal Word: | Warning |
Class: | N/A |
| Precautionary Statements: | P280-P305+P351+P338 |
UN#: | N/A |
| Hazard Statements: | H302 |
Packing Group: | N/A |
| GHS Pictogram: |
|
Application In Synthesis of [ 1198300-79-6 ]
* 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 [ 1198300-79-6 ]
- 2
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[ 651734-65-5 ]
-
[ 1198300-79-6 ]
- 3
-
[ 611400-14-7 ]
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C9H12N4OS
[ No CAS ]
-
[ 1198300-79-6 ]
| Yield | Reaction Conditions | Operation in experiment |
|
|
235 Kg of NMP, and 32.1 kg of Compound C crude dry product were charged to a reactor. The internal temperature was set at between 0-10 C. 72.95 Kg of MCPBA were charged while keeping the temperature under 5 C. The mixture was then warmed up till 25C and stirred for 1 hour. IPC showed that residual content of Compound C was 0.00 % for oxidative reaction. The mixture was kept stirring at 25 C for a further hour. To the above mixture, 40.05 kg of Compound B was added. The internal temperature was set at 40 C and the mixture was stirred overnight for 17 hours and 17 minutes, and then for additional 4 hours. In-process control showed that residual content of Compound A-2 + Compound A-3 was 2.05 %. The mixture was cooled down to 3 C, and a pre-cooled basic solution of water (642 L) and NaHCCb (48 kg) was added to the mixture. The mixture was stirred for 1 hour and then water (193 L) was added keeping the internal temperature between 0-10 C. The mixture was stirred for 40 minutes. Solid was isolated by filtration (filter-dryer equipped with 20 pm mesh) keeping squeezing the cake with both N2/vacuum for 51 hours. Compound I crude wet product (106.9 kg) was then re-charged in the reactor and slurried at 25C for 9 hours with water (1434 L). Solid was isolated by filtration (filter-dryer equipped with 20 pm mesh cloth) keeping squeezing the cake with both N2/vacuum for 60 hours. Wet solid was respectively slurried and squeezing four times more in the filter- dryer using water (877 L). Solid was then forwarded to the filter-dryer for isolation and drying (43 C under vacuum for 20 hours). Compound I crude dry product overall yield was 88 % (63.76 kg) with purity of 90.84 %. |
- 4
-
[ 1198300-79-6 ]
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4-(cyclopropylamino)-2-({4-[4-(ethylsulfonyl)piperazin-1-yl]phenyl}amino)pyrimidine-5-carboxamide hydrochloride
[ No CAS ]
| Yield | Reaction Conditions | Operation in experiment |
| 35.44 kg |
|
252 Kg of DMSO and 56.2 kg of Compound I were charged in the reactor. The mixture was warmed up to 75 C and stirred till complete dissolution. 664 Kg of EtOH abs. was added and the reaction was stirred for 30 minutes. Keeping the internal temperature in between 70-80C (72.9C), an acidic solution made by mixing 347 kg of water and 43 kg of HC1 33% w/w was added. The reaction was stirred for further 30 minutes. The mixture was then cooled down to 20 C and stirred for 19 hours. Solid was then forwarded to the filter- dryer (20 pm mesh cloth) for isolation. Wet solid was respectively slurried and squeezing twice directly in the filter-dryer using EtOH (1073 L), and then dried (at 35 C under vacuum for 50 hours). Compound I hydrochloride salt yield was 58.4 % (35.44 kg) with a purity of 99.41 %. |
- 5
-
[ 1198300-79-6 ]
-
C20H27N7O3S*1.5ClH
[ No CAS ]
- 6
-
[ 1198300-79-6 ]
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C20H27N7O3S*(x)H2O4S
[ No CAS ]
| Yield | Reaction Conditions | Operation in experiment |
|
With sulfuric acid; In tetrahydrofuran; dimethyl sulfoxide; at 70℃; |
About 200 mg of Compound I (free base) in DMSO (about 0.5M, about 0.9 mL) was charged to a hot (about 70 C) tube comprising water or IPA (about 15 vols.). About 1 equivalent of a sulfuric acid was added as a 1M solution in THF to the Compound I (free base) solution. The resulting solution/suspension was held isothermal for about 4 hours and cooled overnight prior to filtration, drying, and analysis. |
- 7
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[ 594-45-6 ]
-
[ 1198300-79-6 ]
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(x)C2H6O3S*C20H27N7O3S
[ No CAS ]
| Yield | Reaction Conditions | Operation in experiment |
|
In tetrahydrofuran; dimethyl sulfoxide; at 70℃; |
About 200 mg of Compound I (free base) in DMSO (about 0.5M, about 0.9 mL) was charged to a hot (about 70 C) tube comprising toluene or IPA (about 15 vols.). About 1 equivalent of an ethane sulfonic acid was added as a 1M solution in THF to the Compound I (free base) solution. The resulting solution/suspension was held isothermal for about 4 hours and cooled overnight prior to filtration, drying, and analysis. |
- 8
-
[ 75-75-2 ]
-
[ 1198300-79-6 ]
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(x)CH4O3S*C20H27N7O3S
[ No CAS ]
| Yield | Reaction Conditions | Operation in experiment |
|
With sodium ethanolate; In tetrahydrofuran; dimethyl sulfoxide; at 70℃; |
About 200 mg of Compound I (free base) in DMSO (about 0.5M, about 0.9 mL) was charged to a hot (about 70 C) tube comprising ethanol or EtOAc (about 15 vols.). About 1 equivalent of a methane sulfonic acid was added as a 1M solution in THF to the Compound I (free base) solution. The resulting solution/suspension was held isothermal for about 4 hours and cooled overnight prior to filtration, drying, and analysis. |
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