[ CAS No. 2097132-94-8 ] {[proInfo.proName]}

Name: 2097132-94-8|cis-N-((S)-1-(6-(4-Fluoro-1H-pyrazol-1-yl)pyridin-3-yl)ethyl)-1-methoxy-4-(4-methyl-6-((5-methyl-1H-pyrazol-3-yl)amino)pyrimidin-2-yl)cyclohexanecarboxamide|99%
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SKU: A468588
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Quality Control of [ 2097132-94-8 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

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Product Details of [ 2097132-94-8 ]

CAS No. :	2097132-94-8	MDL No. :	MFCD31810155
Formula :	C₂₇H₃₂FN₉O₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	GBLBJPZSROAGMF-SIYOEGHHSA-N
M.W :	533.60	Pubchem ID :	129073603
Synonyms :	BLU-667;CS 3009;Gavreto

Calculated chemistry of [ 2097132-94-8 ]

Physicochemical Properties

Num. heavy atoms :	39
Num. arom. heavy atoms :	22
Fraction Csp3 :	0.41
Num. rotatable bonds :	9
Num. H-bond acceptors :	8.0
Num. H-bond donors :	3.0
Molar Refractivity :	143.26
TPSA :	135.53 Å²

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-7.37 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.31
Log Po/w (XLOGP3) :	3.08
Log Po/w (WLOGP) :	4.3
Log Po/w (MLOGP) :	1.65
Log Po/w (SILICOS-IT) :	3.48
Consensus Log Po/w :	3.16

Druglikeness

Lipinski :	2.0
Ghose :	None
Veber :	0.0
Egan :	1.0
Muegge :	0.0
Bioavailability Score :	0.17

Water Solubility

Log S (ESOL) :	-4.91
Solubility :	0.00653 mg/ml ; 0.0000122 mol/l
Class :	Moderately soluble
Log S (Ali) :	-5.59
Solubility :	0.00136 mg/ml ; 0.00000255 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-8.56
Solubility :	0.00000147 mg/ml ; 0.0000000028 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	5.08

Safety of [ 2097132-94-8 ]

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 [ 2097132-94-8 ]

* 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 [ 2097132-94-8 ]

[ 2097132-94-8 ] Synthesis Path-Downstream 1~25

1
[ 1980023-94-6 ]
[ 2097132-93-7 ]
[ 2097132-94-8 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1.1: titanium(IV) tetraethanolate / tetrahydrofuran / 15 h / 75 °C 1.2: 1.17 h / -78 - 20 °C 2.1: hydrogenchloride / methanol; 1,4-dioxane / 2.5 h 3.1: benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate

Reference： [1]Current Patent Assignee: BLUEPRINT MEDICINES CORP - WO2017/79140, 2017, A1

2
[ 139042-59-4 ]
trans-N-((S)-1-(6-(4-fluoro-1H-pyrazol-1-yl)pyridin-3-yl)ethyl)-1-methoxy-4-(4-methyl-6-((5-methyl-1H-pyrazol-3-yl)amino)pyrimidin-2-yl)cyclohexanecarboxamide [ No CAS ]
(1S,4R)-N-((S)-1-(6-(4-fluoro-1H-pyrazol-1-yl)pyridin-3-yl)ethyl)-1-methoxy-4-(4-methyl-6-((5-methyl-1H-pyrazol-3-yl)amino)pyrimidin-2-yl)cyclohexanecarboxamide [ No CAS ]

Reference： [1]Patent: WO2017/79140,2017,A1

3
[ 1980023-95-7 ]
[ 2097132-93-7 ]
[ 2097132-94-8 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: hydrogenchloride / methanol; 1,4-dioxane / 2.5 h 2: benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate

Reference： [1]Current Patent Assignee: BLUEPRINT MEDICINES CORP - WO2017/79140, 2017, A1

4
[ 1980023-96-8 ]
[ 2459966-45-9 ]
[ 2097132-93-7 ]
[ 2097132-94-8 ]

Yield	Reaction Conditions	Operation in experiment
1: 10% 2: 46%	With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate	5.7 Step 7: Synthesis of (lR,4S)-N-((S)-l-(6-(4-fluoro-lH-pyrazol-l-yl)pyridin-3-yl)ethyl)-l- methoxy-4-(4-methyl-6-((5-methyl-lH-pyrazol-3-yl)amino)pyrimidin-2-yl)cyclohexane- carboxamide (Compound 129) and (lS,4R)-N-((S)-l-(6-(4-fluoro-lH-pyrazol-l-yl)pyridin-3- yl)ethyl)-l-methoxy-4-(4-methyl-6-((5-methyl-lH-pyrazol-3-yl)amino)pyrimidin-2- yl)cyclohexanecarboxamide (Compound 130). Step 7: Synthesis of (lR,4S)-N-((S)-l-(6-(4-fluoro-lH-pyrazol-l-yl)pyridin-3-yl)ethyl)-l- methoxy-4-(4-methyl-6-((5-methyl-lH-pyrazol-3-yl)amino)pyrimidin-2-yl)cyclohexane- carboxamide (Compound 129) and (lS,4R)-N-((S)-l-(6-(4-fluoro-lH-pyrazol-l-yl)pyridin-3- yl)ethyl)-l-methoxy-4-(4-methyl-6-((5-methyl-lH-pyrazol-3-yl)amino)pyrimidin-2- yl)cyclohexanecarboxamide (Compound 130). (0289) (0290) The title compounds were prepared from methyl l-methoxy-4-(4-methyl-6-((5-methyl- lH-pyrazol-3-yl)amino)pyrimidin-2-yl)cyclohexanecarboxylate (192 mg, 0.53 mmol) using the same two-step procedure (hydrolysis and amide coupling) outlined in Synthetic Protocols 1 and 2, with PyBOP as the amide coupling reagent instead of HATU. The products were initially isolated as a mixture of diastereomers (190 mg), which was then dissolved in 6 mL methanol and purified by SFC (ChiralPak AD-H 21 x 250 mm, 40% MeOH containing 0.25% DEA in C02, 2.5 mL injections, 70 mL/min). Peak 1 was concentrated to give (lR,4S)-N-((S)-l-(6-(4-fluoro- lH-pyrazol-l-yl)pyridin-3-yl)ethyl)-l-methoxy-4-(4-methyl-6-((5-methyl-lH-pyrazol-3- yl)amino)pyrimidin-2-yl)cyclohexanecarboxamide (29 mg, 10%) as a white solid. Peak 2 was concentrated to give (ls,4R)-N-((S)-l-(6-(4-fluoro-lH-pyrazol-l-yl)pyridin-3-yl)ethyl)-l- methoxy-4-(4-methyl-6-((5-methyl-lH-pyrazol-3-yl)amino)pyrimidin-2-yl)cyclohexane- carboxamide (130 mg, 46%) as a white solid.

Reference： [1]Current Patent Assignee: BLUEPRINT MEDICINES CORP - WO2017/79140, 2017, A1 Location in patent: Page/Page column 52; 53

5
[ 1980023-96-8 ]
[ 2459966-45-9 ]
[ 2097132-94-8 ]

Yield	Reaction Conditions	Operation in experiment
67.3%	With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In N,N-dimethyl-formamide at 20℃; for 2h;	12-16 Example 12 Synthesis of the compound prasetinib represented by formula I At room temperature, add compound 4 (34.5g, 0.1mol) and compound 5 (20.6g, 0.1mol) into DMF (350mL) and stir evenly, add 2-(7-oxybenzotriazole)-N,N, N',N'-tetramethylurea hexafluorophosphate (HATU) (38.0g, 0.1mol) and N,N-diisopropylethylamine (DIPEA) (15.5g, 0.12mol), keep at room temperature and stir to react After 2h, the reaction was detected by HPLC. H2O (300mL) and EA (300mL) were added for extraction. The organic phase was washed with saturated aqueous NaCl, dried over sodium sulfate, filtered and concentrated. The resulting oil was purified by column chromatography (column chromatography using volume A mixed solvent of dichloromethane and methanol with a ratio of 20:1), the collected target eluate is filtered, and then concentrated in vacuo to precipitate a solid, which is the compound represented by formula I prasactinib. 35.9g, yield 67.3%, HPLC purity 99.8%.Send feedback

Reference： [1]Current Patent Assignee: WEI WEI - CN111362923, 2020, A Location in patent: Paragraph 0089-000099

6
[ 2482695-51-0 ]
[ 2097132-94-8 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1: hydrogenchloride / water; 1,4-dioxane / 10 h / 20 °C 2: potassium hydroxide; water / 12 h / 0 °C 3: N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 2 h / 20 °C

Reference： [1]Current Patent Assignee: WEI WEI - CN111362923, 2020, A

7
[ 1106871-37-7 ]
[ 2097132-94-8 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 4 steps 1: potassium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾ / toluene; water / 2 h / 120 °C / Inert atmosphere 2: hydrogenchloride / water; 1,4-dioxane / 10 h / 20 °C 3: potassium hydroxide; water / 12 h / 0 °C 4: N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 2 h / 20 °C

Reference： [1]Current Patent Assignee: WEI WEI - CN111362923, 2020, A

8
[ 2054922-17-5 ]
[ 2097132-94-8 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 4 steps 1: potassium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾ / toluene; water / 2 h / 120 °C / Inert atmosphere 2: hydrogenchloride / water; 1,4-dioxane / 10 h / 20 °C 3: potassium hydroxide; water / 12 h / 0 °C 4: N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 2 h / 20 °C
	Multi-step reaction with 3 steps 1.1: Rieke zinc-THF / N,N-dimethyl-formamide / 0.25 h / 20 °C / Inert atmosphere 1.2: 1 h / 80 °C / Inert atmosphere 2.1: lithium hydroxide / tetrahydrofuran / 2 h / 60 °C 3.1: N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 2 h / 20 °C

Reference： [1]Current Patent Assignee: WEI WEI - CN111362923, 2020, A
[2]Current Patent Assignee: WEI WEI - CN111440151, 2020, A

9
[ 2097133-18-9 ]
[ 2097132-94-8 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1.1: Rieke zinc-THF / N,N-dimethyl-formamide / 0.25 h / 20 °C / Inert atmosphere 1.2: 1 h / 80 °C / Inert atmosphere 2.1: lithium hydroxide / tetrahydrofuran / 2 h / 60 °C 3.1: N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 2 h / 20 °C

Reference： [1]Current Patent Assignee: WEI WEI - CN111440151, 2020, A

10
[ 2054317-97-2 ]
[ 2459966-45-9 ]
[ 2097132-94-8 ]

Yield	Reaction Conditions	Operation in experiment
67.3%	With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In N,N-dimethyl-formamide at 20℃; for 2h;	12-16 Example 12 Synthesis of the compound Prassetinib (Pralsetinib) represented by formula I At room temperature, add compound 4 (34.5g, 0.1mol) and compound 5 (20.6g, 0.1mol) into DMF (350mL) and stir evenly, add 2-(7-oxybenzotriazole)-N,N, N',N'-tetramethylurea hexafluorophosphate (HATU) (38.0g, 0.1mol) and N,N-diisopropylethylamine (DIPEA) (15.5g, 0.12mol), keep at room temperature and stir to react 2h, HPLC detects the reaction is complete, add H2O (300mL) and EA (300mL) were extracted, the organic phase was washed with saturated aqueous NaCl, dried over sodium sulfate, filtered and concentrated, and the resulting oil was purified by column chromatography (column chromatography using dichloromethane with a volume ratio of 20:1 The mixed solvent of methane and methanol is eluted), the collected target eluate is filtered, and then concentrated in vacuo to precipitate a solid, which is the compound of formula I prasitinib. The yield is 35.9g, and the yield is 67.3%. HPLC purity 99.8%.

Reference： [1]Current Patent Assignee: WEI WEI - CN111440151, 2020, A Location in patent: Paragraph 0080-0090

11
[ 2097132-94-8 ]
[ 2768621-31-2 ]

Yield	Reaction Conditions	Operation in experiment
	With hydrogenchloride In methanol; water monomer at 20℃; for 16h;	9 Example 9. Preparation of Pralsetinib hydrochloride Form Pralsetinib base (1920 mg, Form II) was dissolved in methanol (24 mL) at room temperature. Hydrochloric acid (4.0 mL, 1.0M) was added dropwise and a solution was formed (molar ratio of Pralsetinib and hydrochloric acid was 1 : 1.1). iso-butyl acetate (25 mL) was added dropwise to the solution, and a suspension was obtained. The suspension was stirred at room temperature for 16 hours and vacuum filtered over the black ribbon at room temperature. The isolated solid was analyzed by XRPD, Pralsetinib hydrochloride Form I was obtained. An XRPD pattern is shown in Figure 9.

Reference： [1]Current Patent Assignee: TEVA PHARMACEUTICAL INDUSTRIES LTD. - WO2022/86899, 2022, A1 Location in patent: Paragraph 00196

12
[ 2097132-94-8 ]
[ 65-85-0 ]
[ 2768621-35-6 ]

Yield	Reaction Conditions	Operation in experiment
	In water monomer at 40℃; for 24h;	17 Example 17. Preparation of Pralsetinib: benzoic acid Form I (co-crystal) Pralsetinib base (399.4 mg, Form II) and Benzoic acid (100.6 mg) (molar ratio of Pralsetinib and L-(+)-Tartaric acid was 1 : 1.1) were charged and water (25 mL) was added. The obtained suspension was stirred at 40°C for 1 day, then it was vacuum filtered over the blue ribbon at room temperature. The isolated solid was analyzed by XRPD, a Co-crystal of Pralsetinib base and benzoic acid Form I was obtained. An XRPD pattern is shown in Figure 16.

Reference： [1]Current Patent Assignee: TEVA PHARMACEUTICAL INDUSTRIES LTD. - WO2022/86899, 2022, A1 Location in patent: Paragraph 00204

13
[ 87-69-4 ]
[ 2097132-94-8 ]
[ CAS Unavailable ]

Yield	Reaction Conditions	Operation in experiment
	In propan-2-one at 20℃; for 72h;	15 Example 15. Preparation of Pralsetinib Z-(+)-tartrate Form Pralsetinib base (936.6 mg, Form II) and L-(+)-Tartaric acid (263.4 mg) (molar ratio of Pralsetinib and L-(+)-Tartaric acid was 1 : 1) were charged and acetone (20 mL) was added. The obtained suspension was stirred at room temperature for 3 days. Then, the solid was vacuum filtered over the black ribbon at room temperature. The isolated solid was analyzed by XRPD, Pralsetinib L-(+)-tartrate Form I was obtained. An XRPD pattern is shown in Figure 14.

Reference： [1]Current Patent Assignee: TEVA PHARMACEUTICAL INDUSTRIES LTD. - WO2022/86899, 2022, A1 Location in patent: Paragraph 00202

14
[ 2097132-94-8 ]
[ 104-15-4 ]
[ 2768621-34-5 ]

Yield	Reaction Conditions	Operation in experiment
	In methanol; water monomer at 20℃; for 16h;	16 Example 16. Preparation of Pralsetinib tosylate Form I Pralsetinib (250 mg, Form II) and p-toluenesulfonic acid (98 mg, monohydrate) (molar ratio of Pralsetinib and L-(+)-Tartaric acid was 1 : 1.1) were dissolved in a mixture of methanol and water (10 mL MeOELWater 2: 1). Into the obtained solution, i-BuOAc (30 mL) was added dropwise. The obtained suspension was stirred at room temperature for 16 hours and vacuum filtered over the black ribbon at room temperature. The isolated solid was analyzed by XRPD. An XRPD pattern is shown in Figure 15.

Reference： [1]Current Patent Assignee: TEVA PHARMACEUTICAL INDUSTRIES LTD. - WO2022/86899, 2022, A1 Location in patent: Paragraph 00203

15
[ 2097132-94-8 ]
[ 67-68-5 ]
[ CAS Unavailable ]

Yield	Reaction Conditions	Operation in experiment
117 mg	In diethyl ether at 20℃; for 2h;	4 Example 4: Preparation of pralsetinib Form SDMSO Pralsetinib (196 mg, e.g. prepared according to the procedure disclosed in WO 2017/079140 Al, Example 5) was suspended in diethyl ether (2 mL) followed by the addition of DMSO (50 microliter). The mixture was seeded with a small spatula of Form SDMSO crystals obtained from Example 3 hereinabove and further stirred at room temperature for 2 hours. Subsequently, the crystals were collected by filtration and air dried to obtain 117 mg of crystalline Form SDMSO of pralsetinib of the present invention.

Reference： [1]Current Patent Assignee: NOVARTIS AG; Sandoz (in: Novartis) - WO2022/117448, 2022, A1 Location in patent: Page/Page column 25

16
[ 2778223-50-8 ]
[ 2097132-94-8 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 4 steps 1: tetrahydrofuran / Reflux 2: sodium hydroxide / lithium hydroxide monohydrate / 25 - 30 °C 3: 2-chloro-4,6-dimethoxy-1 ,3,5-triazine; 4-methyl-morpholine / lithium hydroxide monohydrate; tetrahydrofuran / 3 - 17 °C 4: sodium hydroxide; lithium hydroxide monohydrate / dichloromethane / 2 h / 35 - 45 °C

Reference： [1]Current Patent Assignee: BLUEPRINT MEDICINES CORP - WO2022/120136, 2022, A1

17
[ 2778223-51-9 ]
[ 2097132-94-8 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1: sodium hydroxide / lithium hydroxide monohydrate / 25 - 30 °C 2: 2-chloro-4,6-dimethoxy-1 ,3,5-triazine; 4-methyl-morpholine / lithium hydroxide monohydrate; tetrahydrofuran / 3 - 17 °C 3: sodium hydroxide; lithium hydroxide monohydrate / dichloromethane / 2 h / 35 - 45 °C

Reference： [1]Current Patent Assignee: BLUEPRINT MEDICINES CORP - WO2022/120136, 2022, A1

18
[ 1980023-97-9 ]
[ 2778223-52-0 ]
[ 2097132-94-8 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: 2-chloro-4,6-dimethoxy-1 ,3,5-triazine; 4-methyl-morpholine / lithium hydroxide monohydrate; tetrahydrofuran / 3 - 17 °C 2: sodium hydroxide; lithium hydroxide monohydrate / dichloromethane / 2 h / 35 - 45 °C

Reference： [1]Current Patent Assignee: BLUEPRINT MEDICINES CORP - WO2022/120136, 2022, A1

19
[ 55676-22-7 ]
[ 2097132-94-8 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 5 steps 1.1: potassium carbonate / 1-methyl-pyrrolidin-2-one / 19 h / 85 °C 2.1: titanium isopropoxide / tetrahydrofuran / 70 - 80 °C 2.2: -25 - -15 °C 3.1: hydrogenchloride / lithium hydroxide monohydrate; propan-2-one / 15 - 25 °C 4.1: 2-chloro-4,6-dimethoxy-1 ,3,5-triazine; 4-methyl-morpholine / lithium hydroxide monohydrate; tetrahydrofuran / 3 - 17 °C 5.1: sodium hydroxide; lithium hydroxide monohydrate / dichloromethane / 2 h / 35 - 45 °C
	Multi-step reaction with 5 steps 1: potassium carbonate / 1-methyl-pyrrolidin-2-one / 19 h / 85 °C 2: titanium isopropoxide / tetrahydrofuran / 70 - 80 °C 3: hydrogenchloride / propan-2-one / 15 - 25 °C 4: 2-chloro-4,6-dimethoxy-1 ,3,5-triazine; 4-methyl-morpholine / lithium hydroxide monohydrate; tetrahydrofuran / 3 - 17 °C 5: sodium hydroxide; lithium hydroxide monohydrate / dichloromethane / 2 h / 35 - 45 °C

Reference： [1]Current Patent Assignee: BLUEPRINT MEDICINES CORP - WO2022/120136, 2022, A1
[2]Current Patent Assignee: BLUEPRINT MEDICINES CORP - WO2022/120136, 2022, A1

20
[ 53939-30-3 ]
[ 2097132-94-8 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 6 steps 1.1: isopropylmagnesium chloride lithium chloride / toluene / -5 - 20 °C 1.2: 2 h / -5 - 20 °C / Schlenk technique 2.1: potassium carbonate / 1-methyl-pyrrolidin-2-one / 19 h / 85 °C 3.1: titanium isopropoxide / tetrahydrofuran / 70 - 80 °C 3.2: -25 - -15 °C 4.1: hydrogenchloride / lithium hydroxide monohydrate; propan-2-one / 15 - 25 °C 5.1: 2-chloro-4,6-dimethoxy-1 ,3,5-triazine; 4-methyl-morpholine / lithium hydroxide monohydrate; tetrahydrofuran / 3 - 17 °C 6.1: sodium hydroxide; lithium hydroxide monohydrate / dichloromethane / 2 h / 35 - 45 °C
	Multi-step reaction with 6 steps 1.1: isopropylmagnesium chloride lithium chloride / toluene / -5 - 20 °C 1.2: 2 h / -5 - 20 °C / Schlenk technique 2.1: potassium carbonate / 1-methyl-pyrrolidin-2-one / 19 h / 85 °C 3.1: titanium isopropoxide / tetrahydrofuran / 70 - 80 °C 4.1: hydrogenchloride / propan-2-one / 15 - 25 °C 5.1: 2-chloro-4,6-dimethoxy-1 ,3,5-triazine; 4-methyl-morpholine / lithium hydroxide monohydrate; tetrahydrofuran / 3 - 17 °C 6.1: sodium hydroxide; lithium hydroxide monohydrate / dichloromethane / 2 h / 35 - 45 °C

Reference： [1]Current Patent Assignee: BLUEPRINT MEDICINES CORP - WO2022/120136, 2022, A1
[2]Current Patent Assignee: BLUEPRINT MEDICINES CORP - WO2022/120136, 2022, A1

21
[ 1980023-94-6 ]
[ 2097132-94-8 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 4 steps 1.1: titanium isopropoxide / tetrahydrofuran / 70 - 80 °C 1.2: -25 - -15 °C 2.1: hydrogenchloride / lithium hydroxide monohydrate; propan-2-one / 15 - 25 °C 3.1: 2-chloro-4,6-dimethoxy-1 ,3,5-triazine; 4-methyl-morpholine / lithium hydroxide monohydrate; tetrahydrofuran / 3 - 17 °C 4.1: sodium hydroxide; lithium hydroxide monohydrate / dichloromethane / 2 h / 35 - 45 °C
	Multi-step reaction with 4 steps 1: titanium isopropoxide / tetrahydrofuran / 70 - 80 °C 2: hydrogenchloride / propan-2-one / 15 - 25 °C 3: 2-chloro-4,6-dimethoxy-1 ,3,5-triazine; 4-methyl-morpholine / lithium hydroxide monohydrate; tetrahydrofuran / 3 - 17 °C 4: sodium hydroxide; lithium hydroxide monohydrate / dichloromethane / 2 h / 35 - 45 °C

Reference： [1]Current Patent Assignee: BLUEPRINT MEDICINES CORP - WO2022/120136, 2022, A1
[2]Current Patent Assignee: BLUEPRINT MEDICINES CORP - WO2022/120136, 2022, A1

22
[ 1980023-95-7 ]
[ 2097132-94-8 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1: hydrogenchloride / lithium hydroxide monohydrate; propan-2-one / 15 - 25 °C 2: 2-chloro-4,6-dimethoxy-1 ,3,5-triazine; 4-methyl-morpholine / lithium hydroxide monohydrate; tetrahydrofuran / 3 - 17 °C 3: sodium hydroxide; lithium hydroxide monohydrate / dichloromethane / 2 h / 35 - 45 °C
	Multi-step reaction with 3 steps 1: hydrogenchloride / propan-2-one / 15 - 25 °C 2: 2-chloro-4,6-dimethoxy-1 ,3,5-triazine; 4-methyl-morpholine / lithium hydroxide monohydrate; tetrahydrofuran / 3 - 17 °C 3: sodium hydroxide; lithium hydroxide monohydrate / dichloromethane / 2 h / 35 - 45 °C

Reference： [1]Current Patent Assignee: BLUEPRINT MEDICINES CORP - WO2022/120136, 2022, A1
[2]Current Patent Assignee: BLUEPRINT MEDICINES CORP - WO2022/120136, 2022, A1

23
[ 2768621-31-2 ]
[ 2097132-94-8 ]

Yield	Reaction Conditions	Operation in experiment
	With lithium hydroxide monohydrate; sodium hydroxide In dichloromethane at 35 - 45℃; for 2h;	Synthesis of pralsetinib (Compound 23) Pralsetinib was prepared by charging sodium hydroxide solution, previously prepare with deionized water (5.0 L ± 5%, 5.0 Kg ± 5%) and sodium hydroxide (50% w/w) ( 0.55 L ± 5%, 0.84 Kg ± 5%), to a suspension of Compound 22 ( 1.00 Kg ± 2% - assay basis) in dichloromethane ( 12.0 L ± 5% ^ 15.94 Kg ± 5%), in not less than 15 minutes. The charging system was rinsed with deionized water (1.0 L ± 5% 1.0 Kg ± 5%) and the rinse was charged to the main solution. The mixture was heated to a temperature between 35 C and 45 C and stir at this temperature during not less than 2 hours. The pH of the mixture was verified. If the pH was lower than 12, more sodium hydroxide solution was charged, in the same concentration as prepared previously, until the pH is met. It was confirmed if a clear biphasic mixture was obtained. If solids were present in the mixture, the mixture should be stirred for not less than 2 hours at a temperature between 35 C and 45 C. The phases were separated for not less than 30 minutes. The organic phase 1 (bottom phase) obtained (lower phase, containing the product) was stored. The aqueous phase 1 (upper phase) was kept in the same reactor. If solids were present, the solids were maintained in the aqueous phase. Dichloromethane (5.0 L ± 5% 6.64 Kg ± 5%) was charged to aqueous phase 1 and stirred for not less than 30 minutes, maintaining the temperature between 25 C and 35 C. The phases were allowed to separate for not less than 30 minutes. The organic phase obtained (organic phase 2, lower phase) was combined with the previous organic phase (organic phase 1) and if solids were present were maintained with the organic phase. The aqueous phase 2 (upper phase) was discarded. Deionized water (6.0 L ± 5% 6.0 Kg ± 5%) was charged to the combined organic phase, maintaining the temperature between 25 C and 35 C, and then, stirred for not less than 30 minutes. The phases were allowed to separate for not less than 30 minutes. The rag layer was maintained with organic phase 3 (lower phase) and the aqueous phase 3 (upper phase) was discharged. The organic phase 3 was washed again with deionized water (103835; 6.0 L ± 5% 6.0 Kg ± 5%) and stirred for not less than 30 minutes. The phases were allowed to separate for not less than 30 minutes. The organic phase 4 obtained (lower phase) was transfer to a reactor for distillation. The organic phase 4 was distilled at atmospheric pressure until a final volume of 4.0 L ± 5%. It was expected that the distillation occurs at a temperature between 38 C and 40 C. Acetone (9.0 L ± 5% 7.1 Kg ± 5%) and deionized water (1.0 L ± 5% 1.0 Kg ± 5%) were charged and the mixture is distilled at atmospheric pressure until a final volume of 8.0 L ± 5%. The distillation occurred at a temperature between 51 C and 57 C. Acetone (9.0 L ± 5% 7.1 Kg ± 5%) and deionized water (1.0 L ± 5% 1.0 Kg ± 5%) were charged again and the mixture is distilled again at atmospheric pressure until a final volume of 8.0 L ± 5%. This distillation occurred at a temperature between 51 C and 60 C. Acetone (9.0 L ± 5% 7.1 Kg ± 5%) and deionized water (1.0 L ± 5% 1.0 Kg ± 5%) were charged one more time. The temperature was adjusted between 40 C and 30 C and the mixture was filtered, through a filter with porosity less than 1 micron. The previous reactor and transfer lines were rinsed with a mixture of acetone (3.0 L ± 5% 2.4 Kg ± 5%) and deionized water ( 0.2 L ± 5% 0.2 Kg ± 5%) The mixture was distilled at atmospheric pressure until a final volume of 8.0 L ± 5%. This distillation occurred at a temperature between 52 C and 62 C. The mixture was cooled to a temperature between 50 C and 55 °C. A sample was taken for water content determination by Karl-Fisher. The water content value, determined by Karl-Fischer volumetric titration as % w/w (using one decimal place), was used to calculate the deionized water and acetone to be charged.
	With lithium hydroxide monohydrate; sodium hydroxide In dichloromethane at 35 - 45℃; for 2h;	Synthesis of pralsetinib (Compound 23) Pralsetinib was prepared by charging sodium hydroxide solution, previously prepare with deionized water (5.0 L ± 5%, 5.0 Kg ± 5%) and sodium hydroxide (50% w/w) ( 0.55 L ± 5%, 0.84 Kg ± 5%), to a suspension of Compound 22 ( 1.00 Kg ± 2% - assay basis) in dichloromethane ( 12.0 L ± 5% ^ 15.94 Kg ± 5%), in not less than 15 minutes. The charging system was rinsed with deionized water (1.0 L ± 5% 1.0 Kg ± 5%) and the rinse was charged to the main solution. The mixture was heated to a temperature between 35 C and 45 C and stir at this temperature during not less than 2 hours. The pH of the mixture was verified. If the pH was lower than 12, more sodium hydroxide solution was charged, in the same concentration as prepared previously, until the pH is met. It was confirmed if a clear biphasic mixture was obtained. If solids were present in the mixture, the mixture should be stirred for not less than 2 hours at a temperature between 35 C and 45 C. The phases were separated for not less than 30 minutes. The organic phase 1 (bottom phase) obtained (lower phase, containing the product) was stored. The aqueous phase 1 (upper phase) was kept in the same reactor. If solids were present, the solids were maintained in the aqueous phase. Dichloromethane (5.0 L ± 5% 6.64 Kg ± 5%) was charged to aqueous phase 1 and stirred for not less than 30 minutes, maintaining the temperature between 25 C and 35 C. The phases were allowed to separate for not less than 30 minutes. The organic phase obtained (organic phase 2, lower phase) was combined with the previous organic phase (organic phase 1) and if solids were present were maintained with the organic phase. The aqueous phase 2 (upper phase) was discarded. Deionized water (6.0 L ± 5% 6.0 Kg ± 5%) was charged to the combined organic phase, maintaining the temperature between 25 C and 35 C, and then, stirred for not less than 30 minutes. The phases were allowed to separate for not less than 30 minutes. The rag layer was maintained with organic phase 3 (lower phase) and the aqueous phase 3 (upper phase) was discharged. The organic phase 3 was washed again with deionized water (103835; 6.0 L ± 5% 6.0 Kg ± 5%) and stirred for not less than 30 minutes. The phases were allowed to separate for not less than 30 minutes. The organic phase 4 obtained (lower phase) was transfer to a reactor for distillation. The organic phase 4 was distilled at atmospheric pressure until a final volume of 4.0 L ± 5%. It was expected that the distillation occurs at a temperature between 38 C and 40 C. Acetone (9.0 L ± 5% 7.1 Kg ± 5%) and deionized water (1.0 L ± 5% 1.0 Kg ± 5%) were charged and the mixture is distilled at atmospheric pressure until a final volume of 8.0 L ± 5%. The distillation occurred at a temperature between 51 C and 57 C. Acetone (9.0 L ± 5% 7.1 Kg ± 5%) and deionized water (1.0 L ± 5% 1.0 Kg ± 5%) were charged again and the mixture is distilled again at atmospheric pressure until a final volume of 8.0 L ± 5%. This distillation occurred at a temperature between 51 C and 60 C. Acetone (9.0 L ± 5% 7.1 Kg ± 5%) and deionized water (1.0 L ± 5% 1.0 Kg ± 5%) were charged one more time. The temperature was adjusted between 40 C and 30 C and the mixture was filtered, through a filter with porosity less than 1 micron. The previous reactor and transfer lines were rinsed with a mixture of acetone (3.0 L ± 5% 2.4 Kg ± 5%) and deionized water ( 0.2 L ± 5% 0.2 Kg ± 5%) The mixture was distilled at atmospheric pressure until a final volume of 8.0 L ± 5%. This distillation occurred at a temperature between 52 C and 62 C. The mixture was cooled to a temperature between 50 C and 55 °C. A sample was taken for water content determination by Karl-Fisher. The water content value, determined by Karl-Fischer volumetric titration as % w/w (using one decimal place), was used to calculate the deionized water and acetone to be charged.

Reference： [1]Current Patent Assignee: BLUEPRINT MEDICINES CORP - WO2022/120136, 2022, A1 Location in patent: Paragraph 0166-0171
[2]Current Patent Assignee: BLUEPRINT MEDICINES CORP - WO2022/120136, 2022, A1 Location in patent: Paragraph 0166-0171

24
[ 2778223-48-4 ]
[ 2097132-94-8 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 5 steps 1: triethylamine / tetrahydrofuran / 0 - 10 °C 2: tetrahydrofuran / Reflux 3: sodium hydroxide / lithium hydroxide monohydrate / 25 - 30 °C 4: 2-chloro-4,6-dimethoxy-1 ,3,5-triazine; 4-methyl-morpholine / lithium hydroxide monohydrate; tetrahydrofuran / 3 - 17 °C 5: sodium hydroxide; lithium hydroxide monohydrate / dichloromethane / 2 h / 35 - 45 °C

Reference： [1]Current Patent Assignee: BLUEPRINT MEDICINES CORP - WO2022/120136, 2022, A1

25
[ 2778223-55-3 ]
[ 2097132-94-8 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 6 steps 1: potassium carbonate / methanol / 20 °C 2: triethylamine / tetrahydrofuran / 0 - 10 °C 3: tetrahydrofuran / Reflux 4: sodium hydroxide / lithium hydroxide monohydrate / 25 - 30 °C 5: 2-chloro-4,6-dimethoxy-1 ,3,5-triazine; 4-methyl-morpholine / lithium hydroxide monohydrate; tetrahydrofuran / 3 - 17 °C 6: sodium hydroxide; lithium hydroxide monohydrate / dichloromethane / 2 h / 35 - 45 °C

Reference： [1]Current Patent Assignee: BLUEPRINT MEDICINES CORP - WO2022/120136, 2022, A1

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H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

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