87591-74-0|2-(Chloromethyl)-6-methyl-4H-pyrido[1,2-a]pyrimidin-4-one| Ambeed

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Quality Control of [ 87591-74-0 ] Purity: 95% SDS Specification

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Product Details of [ 87591-74-0 ]

CAS No. :	87591-74-0
Formula :	C₁₀H₉ClN₂O
M.W :	208.64
SMILES Code :	O=C1C=C(CCl)N=C2N1C(C)=CC=C2
MDL No. :	MFCD03030346

Safety of [ 87591-74-0 ]

GHS Pictogram:
Signal Word:	Danger
Hazard Statements:	H302-H314
Precautionary Statements:	P264-P270-P271-P280-P303+P361+P353-P304+P340-P305+P351+P338-P310-P330-P331-P363-P403+P233-P501
Class:	8
UN#:	3261
Packing Group:	Ⅱ

Application In Synthesis of [ 87591-74-0 ]

* 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 [ 87591-74-0 ]

[ 87591-74-0 ] Synthesis Path-Downstream 1~12

1
[ 110-89-4 ]
[ 87591-74-0 ]
6-Methyl-2-piperidin-1-ylmethyl-pyrido[1,2-a]pyrimidin-4-one; hydrochloride [ No CAS ]

References: [1]Farmaco, Edizione Scientifica,1986,vol. 41,p. 926 - 933.

2
[ 110-91-8 ]
[ 87591-74-0 ]
6-Methyl-2-morpholin-4-ylmethyl-pyrido[1,2-a]pyrimidin-4-one [ No CAS ]

References: [1]Farmaco, Edizione Scientifica,1986,vol. 41,p. 926 - 933.

3
[ 110-85-0 ]
[ 87591-74-0 ]
1,4-bis-<(6-methyl-4H-pyrido<1,2-a>pyrimidin-4-on-2-yl)methyl>piperazine [ No CAS ]

References: [1]Farmaco, Edizione Scientifica,1986,vol. 41,p. 926 - 933.

4
[ 109-01-3 ]
[ 87591-74-0 ]
6-Methyl-2-(4-methyl-piperazin-1-ylmethyl)-pyrido[1,2-a]pyrimidin-4-one; hydrochloride [ No CAS ]

References: [1]Farmaco, Edizione Scientifica,1986,vol. 41,p. 926 - 933.

5
[ 1824-81-3 ]
[ 638-07-3 ]
[ 87591-74-0 ]

Yield	Reaction Conditions	Operation in experiment
		A mixture of 2-amino-6-methylpyridine (10.00 g, 92.47 mmol), ethyl 4-chloro- acetoacetate (16.24 mL, 120.2 mmol), and polyphosphoric acid (50.00 g) was stirred at 125 0C. After 5.5 h, the mixture was removed from the heat. To the cooled mixture was added ice-water (200 mL) and neutralized with 2 N NaOH (400 mL) to pH 6-7. The resulting precipitate was collected by filtration, washed with water (~ 400 mL), and dried to give 2-(chloromethyl)-6-methyl-4H-pyrido- [l,2-a]pyrimidin-4-one as a dark brown solid: 1H NMR (400 MHz, DMSO-d6) delta ppm 7.68 (1 H, dd, J=9.0, 7.0 Hz), 7.40 (1 H, dd, J=9.0, 0.8 Hz), 6.93 (1 H, d, J=6.7 Hz), 6.36 (1 H, s), 4.58 (2 H, s), 2.93 (3 H, s); Mass Spectrum (ESI) m/e = 208.9 (M + 1).

References: [1]Journal of Heterocyclic Chemistry,1983,vol. 20,p. 1053 - 1057.
[2]Patent: WO2010/151735,2010,A2 .Location in patent: Page/Page column 31.

6
[ 7755-92-2 ]
[ 87591-74-0 ]
2-<(4-formylpiperazin-1-yl)methyl>-6-methyl-4H-pyrido<1,2-a>pyrimidin-4-one [ No CAS ]
1,4-bis-<(6-methyl-4H-pyrido<1,2-a>pyrimidin-4-on-2-yl)methyl>piperazine [ No CAS ]

References: [1]Farmaco, Edizione Scientifica,1986,vol. 41,p. 926 - 933.

7
[ 120-43-4 ]
[ 87591-74-0 ]
4-(6-Methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-ylmethyl)-piperazine-1-carboxylic acid ethyl ester [ No CAS ]

References: [1]Farmaco, Edizione Scientifica,1986,vol. 41,p. 926 - 933.

8
[ 87591-74-0 ]
[ 53051-92-6 ]

References: [1]Journal of Heterocyclic Chemistry,1983,vol. 20,p. 1053 - 1057.

9
[ 87591-74-0 ]
[ 84670-41-7 ]

References: [1]Journal of Heterocyclic Chemistry,1983,vol. 20,p. 1053 - 1057.

10
[ 87591-74-0 ]
[ 1259079-94-1 ]

Yield	Reaction Conditions	Operation in experiment
	With N-Bromosuccinimide; In acetic acid; at 20.0℃; for 4.5h;	A mixture of 2-(chloromethyl)-6-methyl-4H-pyrido[ 1 ,2-a]pyrimidin-4-one (3.5648 g, 17.09 mmol), N-bromosuccinimide (3.35 g, 18.79 mmol), and acetic acid (48.2 mL, 843 mmol) was stirred at rt. After 4.5 h, the mixture was poured into water (200 mL) and the resulting precipitate was collected by filtration, washed with water (200 mL), and dried to give an orange solid. The orange solid was dissolved in DCM (100 mL), dried over Na2SOphi filtered, and coned under reduced pressure to give 3-bromo-2-(chloromethyl)-6-methyl-4H-pyrido[l,2-a]- pyrimidin-4-one as an orange solid: H NMR (400 MHz, DMSO-dbeta) delta ppm 7.76 (1 H, dd, J=9.0, 7.0 Hz), 7.47 - 7.52 (1 H, m), 7.04 - 7.09 (1 H, m), 4.71 (2 H, s), 2.95 (3 H, s); Mass Spectrum (ESI) m/e = 288.9 (M + 1).

References: [1]Patent: WO2010/151735,2010,A2 .Location in patent: Page/Page column 31-32.

11
[ 51-17-2 ]
[ 87591-74-0 ]
[ 1434288-24-0 ]

Yield	Reaction Conditions	Operation in experiment
22%	With potassium carbonate; In N,N-dimethyl-formamide; at 20.0℃; for 64.0h;Sealed tube;	A solution of 1H-benzo[d]imidazole (58.9 mg, 0.499 mmol), <strong>[87591-74-0]2-(chloromethyl)-6-methyl-4H-pyrido[1,2-a]pyrimidin-4-one</strong> (CAS 87591-74-0, 104.9 mg, 0.503 mmol), and powdered potassium carbonate (104.9 mg, 0.759 mmol) in DMF (2.50 mL) was stirred in a sealed tube at room temperature for 64 hours. The solution was diluted with methanol to 5 mL, filtered, and purified by reverse-phase HPLC to give 8 (32.07 mg, 22%) as a white solid. 1H NMR (400 MHz, DMSO-d6) ppm 2.88 (s, 3 H) 5.43 (s, 2 H) 5.81 (s, 1 H) 6.91 (d, J=6.82 Hz, 1 H) 7.19 - 7.27 (m, 2 H) 7.33 - 7.37 (m, 1 H) 7.54 - 7.59 (m, 1 H) 7.63 - 7.70 (m, 2 H) 8.35 (s, 1 H). HRMS: [M+H]+ calc. 291.124038, found 291.12374, error -1.02 ppm.

References: [1]Bioorganic and Medicinal Chemistry Letters,2013,vol. 23,p. 3358 - 3363.

12
[ 1824-81-3 ]
[ 105-39-5 ]
[ 87591-74-0 ]

Yield	Reaction Conditions	Operation in experiment
58%	With polyphosphoric acid; at 110.0℃; for 5.0h;	[02991 A mixture of 2-amino-6-picoline (324 mg, 3.0 rnrnol) and ethyl chloroacetate (594 rng, 3.60 mmol) in polyphosphoric acid (10 mL) was heated at 110 C for 5 hrs. After cooling to room temperature, the mixture was quenched with water (50 mL). The pH value was adjusted to 6-7 with aqueous K2C03. Then the new mixture was extracted with EA (50 mL x3).the organic layers were washed with brine (50 mL), dried over Na2SO4 and filtered. The filtrate was evaporated in vacuum to give 2-chloromethyl-6-methyl-pyrido[1,2-ajpyrimidin- 4-one (360 rng, yield: 58%) as yellow solid. [03001 ?H NMR (400 MHz, DMSO-d6): cS 7.68 (dd, J- 4.0, 1.2 Hz, 1H), 7.40 (d, J= 7.6 Hz, IH), 6.93 (d, J 6.8 Hz, 1H), 6.36 (s, 1H), 4.58 (s, 21-1), 2.93 (s, 3H).

References: [1]Patent: WO2015/184011,2015,A2 .Location in patent: Paragraph 0298; 0299; 0300.

Historical Records

Technical Information

• Acyl Group Substitution • Alkyl Halide Occurrence • Chan-Lam Coupling Reaction • Complex Metal Hydride Reductions • General Reactivity • Grignard Reaction • Hiyama Cross-Coupling Reaction • Hydride Reductions • Kinetics of Alkyl Halides • Kumada Cross-Coupling Reaction • Lawesson's Reagent • Preparation of Amines • Reactions of Alkyl Halides with Reducing Metals • Reactions of Amines • Specialized Acylation Reagents-Carbodiimides and Related Reagents • Specialized Acylation Reagents-Ketenes • Stille Coupling • Substitution and Elimination Reactions of Alkyl Halides • Suzuki Coupling

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CAS No.: 87591-74-0

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CAS No.: 87591-74-0

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[ 87591-74-0 ] Synthesis Path-Downstream 1~12

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