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[ CAS No. 1224591-33-6 ] {[proInfo.proName]}

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Chemical Structure| 1224591-33-6
Chemical Structure| 1224591-33-6
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Quality Control of [ 1224591-33-6 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification
Alternatived Products of [ 1224591-33-6 ]

Product Details of [ 1224591-33-6 ]

CAS No. :1224591-33-6 MDL No. :N/A
Formula : C15H21N3O Boiling Point : -
Linear Structure Formula :- InChI Key :BSQPTZYKCAULBH-UHFFFAOYSA-N
M.W : 259.35 Pubchem ID :46195331
Synonyms :
PTI-125
Chemical Name :1-Benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-2-one

Safety of [ 1224591-33-6 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1224591-33-6 ]

* 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 [ 1224591-33-6 ]

[ 1224591-33-6 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 1224591-33-6 ]
  • [ 2375909-85-4 ]
YieldReaction ConditionsOperation in experiment
34% With hydrogenchloride In water; isopropyl alcohol at 5 - 40℃; 2 Mono-HCl Salt Form 1 Approximately 3.5 g of Compound C0105 free base was dissolved in about 1 mL of 2-propanol at 40 °C and a solution of 1 equivalent of 37% HC1 (1.128 mL) in 1.9 L of 2-propanol was added to the mixture drop-wise under stirring at 40°C. The resulting mixture was cooled from 40 °C to 5°C at a rate of about l°C/minute. A suspension was obtained and stirred at ambient room temperature for a further 3 hours. The resulting white solid was filtered and dried at ambient conditions prior analysis. About 2.5 g of material was recovered of this new polymorphic form labeled Form 1. Another 0.2 g of solid was obtained from the mother liquors of this preparation by stirring for about 24 hours at 5°C, providing a total yield of 34%. The XRPD spectrum for this solid polymorphic compound is shown in Fig. 6.
Reference： [1]Current Patent Assignee: CASSAVA SCIENCES - WO2020/172584, 2020, A1 Location in patent: Page/Page column 38-39; 44-45
  • 2
  • [ 1224591-33-6 ]
  • [ 2375909-85-4 ]
YieldReaction ConditionsOperation in experiment
With hydrogenchloride In water; isopropyl alcohol at 2 - 50℃; for 3h; 2 Dihydrochloride Polymorph Form 2 Mono-Hydrate Approximately 9.6 g of Compound C0105 free base was mixed with 30 mL of 2-propanol. The resulting suspension was stirred at 50°C for about 1 hour, followed by drop-wise addition of an aqueous solution of 37% HC1 (9.3 mL, 3 equivalents) in 10 mL of 2-propanol. A white suspension was obtained that was stirred at 50 °C for about 1 hour, then at ambient room temperature for 1 hour, and finally at about 2°C for 1 hour. The solid material recovered was filtered in vacuo and suspended in a mixture of acetone/water (20% water, 8 mL) . The obtained slurry was temperature cycled between ambient and 40°C, in 4 hour cycles. The resulting solids were filtered and XRPD analysis after drying indicated a new polymorphic form labeled Form 2 dihydrochloride hydrate, whose XRPD spectrum is shown in Fig. 2.
Reference： [1]Current Patent Assignee: CASSAVA SCIENCES - WO2020/172584, 2020, A1 Location in patent: Page/Page column 38-39; 42

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[ 1224591-33-6 ]

Chemical Structure| 2480226-06-8

A1517358[ 2480226-06-8 ]

1-Benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-2-one dihydrochloride

Reason: Free-Salt

Chemical Structure| 2480226-07-9

A1517360[ 2480226-07-9 ]

1-Benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-2-one hydrochloride

Reason: Free-Salt