1260088-72-9|2,4-Dichloro-7,7-dimethyl-5,7-dihydrofuro[3,4-d]pyrimidine| Ambeed

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Quality Control of [ 1260088-72-9 ] Purity: 98% SDS Specification

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Product Details of [ 1260088-72-9 ]

CAS No. :	1260088-72-9
Formula :	C₈H₈Cl₂N₂O
M.W :	219.07
SMILES Code :	CC1(C)OCC2=C(Cl)N=C(Cl)N=C21
MDL No. :	MFCD19688042
InChI Key :	IGGHWEUEJMUGHP-UHFFFAOYSA-N
Pubchem ID :	53236359

Safety of [ 1260088-72-9 ]

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H302-H315-H319-H332-H335
Precautionary Statements:	P261-P280-P305+P351+P338

Application In Synthesis of [ 1260088-72-9 ]

* 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 [ 1260088-72-9 ]

[ 1260088-72-9 ] Synthesis Path-Downstream 1~35

1
[ 350595-57-2 ]
[ 1260088-72-9 ]
[ 1260088-73-0 ]

Yield	Reaction Conditions	Operation in experiment
95%	With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide;	Step 4-Synthesis of q: To a cool (0 C.) solution of <strong>[1260088-72-9]2,4-dichloro-7,7-dimethyl-5,7-dihydrofuro[3,4-d]pyrimidine</strong> (p) (2.53 g, 11.5 mmol), DIPEA (4.8 mL, 28 mmol) and DMF (15 mL) was added (3S)-3-methylmorpholine (1.42 g, 14 mmol), the solution was allowed to warm slowly over 15 h. The solution was poured into sat. NH4Cl (100 mL) and extracted with ether (3×50 mL). The combined org. phases were washed with brine (1×25 mL), dried (MgSO4), filtered, and concentrated to afford 3.18 g (95%) of (S)-2-chloro-7,7-dimethyl-4-(3-methylmorpholino)-5,7-dihydrofuro[3,4-d]pyrimidine (q) as a colorless solid: 1H NMR (400 MHz, CDCl3) delta 5.10 (d, J=11.3 Hz, 1H), 5.05 (d, J=11.3 Hz, 1H), 4.11 (s, 1H), 3.85-4.00 (m, 2H), 3.84-3.66 (m, 2H), 3.55 (ddd, J=11.9, 11.9, 2.8 Hz, 1H), 3.39 (ddd, J=13.0, 13.0, 3.2 Hz, 1H), 1.47 (s, 3H), 1.46 (s, 3H), 1.36 (d, J=6.8 Hz, 3H); LC-MS: m/z=+284 (M+H)+.

References: [1]Patent: US2010/331305,2010,A1 .Location in patent: Page/Page column 32-33.
[2]Journal of Medicinal Chemistry,2011,vol. 54,p. 3426 - 3435.

2
[ 1260088-72-9 ]
[ 54745-74-3 ]
[ 1260090-93-4 ]

Yield	Reaction Conditions	Operation in experiment
	With N-ethyl-N,N-diisopropylamine; In ethanol; N,N-dimethyl-formamide; at 45.0℃; for 65.0h;Inert atmosphere;	Step 1-A 20 mL vial equipped with a stirring bar and a Teflon cap was charged with 8-oxa-3azabicyclo[3.2.1]octane hydrochloride (101 mg, 0.673 mmol) followed by p (112 mg, 0.511 mmol). The solids were dissolved in anhydrous ethanol/DMF and heated gently with a heating gun to effect dissolution. After cooling to room temperature, N,N diisopropylethylamine (0.5 mL, 2.56 mmol) was added via syringe, the vial flushed with nitrogen, capeed and placed in a pre heated 45 C. heating block. After heating for 65 h at 45 an aliquot was removed and the progress of the reaction determined by LC-MS. Compound (p) was completely consumed and the reaction worked up as described in Example 105 to afford 156 mg of crude compound (gx) as an off white solid. LC-MS and NMR indicated the crude product was of high purity and could be used directly in the next step: (gx)1H NMR (400 MHz, DMSO) delta 5.10 (s, 2H), 4.38 (br d, J=1.7 Hz, 2H), 3.73 (br s, 1H), 3.32 (s, 1H), 3.20 (d, J=12.2 Hz, 2H), 2.70 (dd, J=41.2, 15.4 Hz, 1H), 2.01-1.51 (m, 4H), 1.32 (s, 6H). LC-MS: m/z=+296.3(M+H)+.

References: [1]Patent: US2010/331305,2010,A1 .Location in patent: Page/Page column 86.

3
[ 909186-56-7 ]
[ 1260088-72-9 ]
[ 1260090-87-6 ]

Yield	Reaction Conditions	Operation in experiment
	With N-ethyl-N,N-diisopropylamine; In ethanol; N,N-dimethyl-formamide; at 45.0℃; for 22.0h;Inert atmosphere;	Step 1-A 20 mL vial equipped with a stirring bar and a Teflon cap was charged with (p) (159 mg, 0.726 mmol) and dissolved in anhydrous ethanol/DMF. Gentle heating with a heat gun was needed to effect dissolution. Once dissolved, the solution was cooled to room temperature and with stirring N,N diisopropylethylamine (0.5 mL2.903 mmol) was added via syringe followed by 2-oxo-5-azabicyclo[2.2.1]heptane hydrochloride (127.9 mg, 0.943 mmol, Anthem Pharmaceuticals). The vial was flushed with nitrogen, capped and placed in a pre-heated 45 C. oil bath and heated at 45 C. for 22 h. LC-MS analysis indicated p had been consumed to give one major new UV active product with an M+H+ consistent with (gt). The reaction mixture was transferred to a round bottom flask, the vial rinsed with additional ethanol, and concentrated to dryness on a rotary evaporator. The residue was dissolved in ethyl acetate (30 mL) and transferred to a separatory funnel, rinsing the round bottom with additional ethyl acetate. The ethyl acetate solution was washed 1× with 10% citric acid, 1× with water, and 1× with brine. The combined aqueous extracts were back extracted with ethyl acetate. The combined ethyl acetate extracts were dried (MgSO4), filtered, concentrated on a rotary evaporater, then dried under high vacuum to afford 224 mg of a crude product as a white foam. LC-MS and NMR indicated the crude product (gt) was of high purity and could be used directly in the next step: 1H NMR (400 MHz, DMSO) delta 5.19 (d, J=11.9 Hz, 1H), 5.01 (brs, 1H), 4.66 (s, 1H), 3.74 (s, 2H), 3.59 (m, 2H), 2.71 (dd, J=41.3, 15.4 Hz, 1H), 1.86 (s, 2H), 1.33 (s, 6H); LC-MS: m/z=+282.2(M+H)+.

References: [1]Patent: US2010/331305,2010,A1 .Location in patent: Page/Page column 84-85.

4
[ 1260088-71-8 ]
[ 1260088-72-9 ]

Yield	Reaction Conditions	Operation in experiment
82%		Step 3-Synthesis of p: A mixture of 7,7-dimethyl-5,7-dihydrofuro[3,4-d]pyrimidine-2,4(1H,3H)-dione (o) (2.55 g, 14.0 mmol), phosphoryl chloride (15 mL, 160 mmol) and 1,2-dichloroethane (80 mL) was heated at 80 C. for 20 h. The mixture was concentrated to a solid and partitioned between dichloromethane (250 mL) and saturated NaHCO3 (500 mL). The phases were separated and the aq. phase was extracted with dichloromethane (3×50 mL). The combined org. phases were dried (Na2SO4), filtered and concentrated to afford 2.53 g (82%) of 2,4-dichloro-7,7-dimethyl-5,7-dihydrofuro[3,4-d]pyrimidine (p) as a colorless solid: 1H NMR (400 MHz, CDCl3) delta 5.02 (s, 2H), 1.51 (s, 6H); LC-MS: m/z=+219 (M+H)+.

References: [1]Patent: US2010/331305,2010,A1 .Location in patent: Page/Page column 32-33.
[2]Journal of Medicinal Chemistry,2011,vol. 54,p. 3426 - 3435.

5
[ 110-91-8 ]
[ 1260088-72-9 ]
[ 1260090-82-1 ]

References: [1]Journal of Medicinal Chemistry,2011,vol. 54,p. 3426 - 3435.

6
[ 1260088-70-7 ]
[ 1260088-72-9 ]

References: [1]Journal of Medicinal Chemistry,2011,vol. 54,p. 3426 - 3435.

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[ 1260088-72-9 ]
[ 1260088-76-3 ]

References: [1]Journal of Medicinal Chemistry,2011,vol. 54,p. 3426 - 3435.

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[ 1260088-72-9 ]
[ 1260088-77-4 ]

References: [1]Journal of Medicinal Chemistry,2011,vol. 54,p. 3426 - 3435.

9
[ 1260088-72-9 ]
[ 1260088-74-1 ]

References: [1]Journal of Medicinal Chemistry,2011,vol. 54,p. 3426 - 3435.

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[ 1260088-72-9 ]
[ 1260091-41-5 ]

References: [1]Journal of Medicinal Chemistry,2011,vol. 54,p. 3426 - 3435.

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[ 1260088-72-9 ]
[ 1260088-78-5 ]

References: [1]Journal of Medicinal Chemistry,2011,vol. 54,p. 3426 - 3435.

12
[ 1260088-72-9 ]
[ 1260091-40-4 ]

References: [1]Journal of Medicinal Chemistry,2011,vol. 54,p. 3426 - 3435.

13
[ 1260088-72-9 ]
[ 1281973-35-0 ]

References: [1]Journal of Medicinal Chemistry,2011,vol. 54,p. 3426 - 3435.

14
[ 1260088-72-9 ]
[ 1260090-95-6 ]

References: [1]Journal of Medicinal Chemistry,2011,vol. 54,p. 3426 - 3435.

15
[ 1260088-72-9 ]
[ 1260088-69-4 ]

References: [1]Journal of Medicinal Chemistry,2011,vol. 54,p. 3426 - 3435.

16
[ 1260088-72-9 ]
[ 1260090-96-7 ]

References: [1]Journal of Medicinal Chemistry,2011,vol. 54,p. 3426 - 3435.

17
[ 1260088-72-9 ]
[ 1260090-94-5 ]

References: [1]Journal of Medicinal Chemistry,2011,vol. 54,p. 3426 - 3435.

18
methyl 5,5-dimethyl-4-oxotetrahydrofuran-3-carboxylate [ No CAS ]
[ 1260088-72-9 ]

References: [1]Journal of Medicinal Chemistry,2011,vol. 54,p. 3426 - 3435.

19
[ 1260088-72-9 ]
[ 874-05-5 ]
C₁₅H₁₄ClN₅O [ No CAS ]