941-91-3|3-Bromo-1-methylquinolin-2(1H)-one| Ambeed

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Quality Control of [ 941-91-3 ] Purity: 95% SDS Specification

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Product Details of [ 941-91-3 ]

CAS No. :	941-91-3
Formula :	C₁₀H₈BrNO
M.W :	238.08
SMILES Code :	O=C1N(C)C2=C(C=CC=C2)C=C1Br
MDL No. :	MFCD00234612

Safety of [ 941-91-3 ]

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

Application In Synthesis of [ 941-91-3 ]

* 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 [ 941-91-3 ]

[ 941-91-3 ] Synthesis Path-Downstream 1~36

1
[ 110-00-9 ]
[ 941-91-3 ]
[ 138073-20-8 ]

References: [1]Journal of Heterocyclic Chemistry,1991,vol. 28,p. 1481 - 1484.

2
[ 188290-36-0 ]
[ 941-91-3 ]
[ 138037-47-5 ]

References: [1]Journal of Heterocyclic Chemistry,1991,vol. 28,p. 1481 - 1484.

3
[ 109-97-7 ]
[ 941-91-3 ]
[ 138037-46-4 ]

References: [1]Journal of Heterocyclic Chemistry,1991,vol. 28,p. 1481 - 1484.

4
[ 941-91-3 ]
[ 85-01-8 ]
[ 138037-43-1 ]

References: [1]Journal of Heterocyclic Chemistry,1991,vol. 28,p. 1481 - 1484.

5
[ 941-91-3 ]
[ 138037-45-3 ]

References: [1]Journal of Heterocyclic Chemistry,1991,vol. 28,p. 1481 - 1484.

6
1,2-dihydro-2-tert-butoxy-3-bromo-1-methylquinoline [ No CAS ]
[ 941-91-3 ]

References: [1]Synthetic Communications,1995,vol. 25,p. 2999 - 3006.

7
[ 941-91-3 ]
[ 146140-95-6 ]
[ 197524-35-9 ]

References: [1]Synlett,1997,vol. 1997,p. 1067 - 1068.

8
[ 939-16-2 ]
[ 74-88-4 ]
[ 941-91-3 ]

Yield	Reaction Conditions	Operation in experiment
82%	With potassium carbonate; In N,N-dimethyl-formamide; at 60℃; for 16.0h;	To a mixture of 3-bromoquinolin-2(1H)-one (224 mg, 1.0 mmol) in DMF (4 mL) was added CH3I (210 mg, 1.5 mmol), K2CO3 (273 mg, 2.0 mmol) at r.t.. The reaction was stirred at 60 oC for 16 h. The mixture was concentrated in vacuum. The residue was purified by column chromatography on silica gel (PE : EA =5:1 to 1:1) to 3-bromo-1-methylquinolin-2(1H)-one (132 mg, yield 82%) as a white solid.1H NMR (400 MHz, DMSO-d6) delta 8.54 (s, 1H), 7.75 (dd, J = 7.8, 1.2 Hz, 1H), 7.70-7.66 (m, 1H), 7.57 (d, J = 8.5 Hz, 1H), 7.36- 7.24 (m, 1H), 3.71 (s, 3H).

References: [1]Tetrahedron,2008,vol. 64,p. 6030 - 6037.
[2]Patent: WO2019/140387,2019,A1 .Location in patent: Paragraph 00557; 00562; 00563.
[3]Synlett,1997,vol. 1997,p. 1067 - 1068.

11
3-bromo-quinoline iodomethylate [ No CAS ]
[ 941-91-3 ]

References: [1]Chemische Berichte,1882,vol. 15,p. 186.

12
[ 74-88-4 ]
3-bromo-carbostyril sodium [ No CAS ]
[ 941-91-3 ]

References: [1]Journal fur praktische Chemie (Leipzig 1954),1892,vol. <2> 45,p. 179.
Chemische Berichte,1903,vol. 36,p. 1206.

13
[ 941-91-3 ]
[ 106473-33-0 ]
C₂₄H₂₀N₂SO₅ [ No CAS ]

References: [1]Tetrahedron,2007,vol. 63,p. 10202 - 10210.

14
[ 941-91-3 ]
[ 70-55-3 ]
C₁₇H₁₆N₂O₃S [ No CAS ]

References: [1]Tetrahedron,2007,vol. 63,p. 10202 - 10210.

15
[ 941-91-3 ]
[ 3144-09-0 ]
C₁₁H₁₂N₂O₃S [ No CAS ]

References: [1]Tetrahedron,2007,vol. 63,p. 10202 - 10210.

16
[ 941-91-3 ]
[ 57-13-6 ]
C₃₃H₂₆N₄O₃ [ No CAS ]

References: [1]Tetrahedron,2007,vol. 63,p. 10202 - 10210.

17
[ 941-91-3 ]
[ 954416-51-4 ]

References: [1]Tetrahedron,2007,vol. 63,p. 10202 - 10210.

18
[ 941-91-3 ]
[ 1201-74-7 ]
C₂₂H₂₀N₂O [ No CAS ]

References: [1]Tetrahedron,2007,vol. 63,p. 10202 - 10210.
[2]ChemMedChem,2011,vol. 6,p. 804 - 815.

19
[ 941-91-3 ]
[ 765-30-0 ]
C₁₃H₁₄N₂O [ No CAS ]

References: [1]Tetrahedron,2007,vol. 63,p. 10202 - 10210.

20
[ 941-91-3 ]
[ 3424-93-9 ]
4-methoxy-N-(1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)benzamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With palladium diacetate; caesium carbonate; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene; In 1,4-dioxane; at 100℃; for 10.0h;Inert atmosphere; Sealed tube;	General procedure: A flame-dried resealable Schlenk tube was charged with Pd(OAc)2 (7.5 mg, 0.05 mmol, 5 mol%), Xantphos (29 mg, 0.05 mmol, 5 mol%), the solid reactant(s) (1.0 mmol of the bromoquinolin-2(1H)-one 6, 1.5 mmol of appropriate amine or amide) and Cs2CO3 (651 mg, 2 mmol). The Schlenk tube was capped with a rubber septum, evacuated and backfilled with argon; this evacuation/backfill sequence was repeated one additional time. The liquid reactant(s) and 1,4-dioxane (2 mL) were added through the septum. The septum was replaced with a teflon screwcap. The Schlenk tube was sealed, and the mixture was stirred at 100 C for 10 h. The resulting suspension was cooled to room temperature and filtred through celite eluting with ethyl acetate, and the inorganic salts were removed. The filtrate was concentrated and purification of the residue through a silica gel column chromatography gave the expected product 7.

References: [1]Journal of Organic Chemistry,2011,vol. 76,p. 4995 - 5005.
[2]Tetrahedron,2007,vol. 63,p. 10202 - 10210.
[3]ChemMedChem,2011,vol. 6,p. 804 - 815.
[4]European Journal of Medicinal Chemistry,2012,vol. 52,p. 44 - 50.

21
[ 60-35-5 ]
[ 941-91-3 ]
C₁₂H₁₂N₂O₂ [ No CAS ]

References: [1]Tetrahedron,2007,vol. 63,p. 10202 - 10210.
[2]ChemMedChem,2011,vol. 6,p. 804 - 815.

22
[ 616-45-5 ]
[ 941-91-3 ]
C₁₄H₁₄N₂O₂ [ No CAS ]

References: [1]Tetrahedron,2007,vol. 63,p. 10202 - 10210.

23
[ 941-91-3 ]
[ 598-81-2 ]
C₁₃H₁₄N₂O₃ [ No CAS ]

References: [1]Tetrahedron,2007,vol. 63,p. 10202 - 10210.
[2]ChemMedChem,2011,vol. 6,p. 804 - 815.

24
[ 941-91-3 ]
[ 62-53-3 ]
C₁₆H₁₄N₂O [ No CAS ]

References: [1]Tetrahedron,2007,vol. 63,p. 10202 - 10210.

25
[ 941-91-3 ]
[ 100-46-9 ]
3-(benzylamino)-1-methylquinolin-2(1H)-one [ No CAS ]

References: [1]Tetrahedron,2007,vol. 63,p. 10202 - 10210.
[2]ChemMedChem,2011,vol. 6,p. 804 - 815.

26
[ 941-91-3 ]
[ 109-73-9 ]
C₁₄H₁₈N₂O [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With palladium diacetate; caesium carbonate; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene; In 1,4-dioxane; at 100℃; for 10.0h;Inert atmosphere; Sealed tube;	General procedure: A flame-dried resealable Schlenk tube was charged with Pd(OAc)2 (7.5 mg, 0.05 mmol, 5 mol%), Xantphos (29 mg, 0.05 mmol, 5 mol%), the solid reactant(s) (1.0 mmol of the bromoquinolin-2(1H)-one 6, 1.5 mmol of appropriate amine or amide) and Cs2CO3 (651 mg, 2 mmol). The Schlenk tube was capped with a rubber septum, evacuated and backfilled with argon; this evacuation/backfill sequence was repeated one additional time. The liquid reactant(s) and 1,4-dioxane (2 mL) were added through the septum. The septum was replaced with a teflon screwcap. The Schlenk tube was sealed, and the mixture was stirred at 100 C for 10 h. The resulting suspension was cooled to room temperature and filtred through celite eluting with ethyl acetate, and the inorganic salts were removed. The filtrate was concentrated and purification of the residue through a silica gel column chromatography gave the expected product 7.

References: [1]Tetrahedron,2007,vol. 63,p. 10202 - 10210.
[2]ChemMedChem,2011,vol. 6,p. 804 - 815.
[3]European Journal of Medicinal Chemistry,2012,vol. 52,p. 44 - 50.

27
[ 941-91-3 ]
N-(6-bromo-1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)-4-methoxybenzamide [ No CAS ]

References: [1]Tetrahedron,2007,vol. 63,p. 10202 - 10210.

28
[ 941-91-3 ]
C₂₆H₂₃N₃O₅ [ No CAS ]

References: [1]Tetrahedron,2007,vol. 63,p. 10202 - 10210.

29
[ 941-91-3 ]
C₁₄H₁₅BrN₂O₂ [ No CAS ]

References: [1]Tetrahedron,2007,vol. 63,p. 10202 - 10210.

30
[ 941-91-3 ]
C₁₈H₂₃N₃O₃ [ No CAS ]

References: [1]Tetrahedron,2007,vol. 63,p. 10202 - 10210.

31
[ 22615-00-5 ]
[ 941-91-3 ]

References: [1]Synlett,1997,vol. 1997,p. 1067 - 1068.
[2]Patent: WO2019/140387,2019,A1 .

32
[ 941-91-3 ]
[ 114414-78-7 ]

References: [1]Synlett,1997,vol. 1997,p. 1067 - 1068.

33
[ 941-91-3 ]
[ 197524-37-1 ]

References: [1]Synlett,1997,vol. 1997,p. 1067 - 1068.

34
[ 21979-55-5 ]
[ 941-91-3 ]

References: [1]Synthetic Communications,1995,vol. 25,p. 2999 - 3006.

35
[ 941-91-3 ]
[ 615-36-1 ]
[ 1041015-14-8 ]

References: [1]Tetrahedron,2008,vol. 64,p. 6030 - 6037.

36
[ 941-91-3 ]
3-amino-1-methylquinolin-2(1H)-one [ No CAS ]

References: [1]Advanced Synthesis and Catalysis,2010,vol. 352,p. 1677 - 1687.
[2]Patent: WO2019/140387,2019,A1 .

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 • Reactions of Dihalides • 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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P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
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CAS No.: 941-91-3

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CAS No.: 941-91-3

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Product Details of [ 941-91-3 ]

Safety of [ 941-91-3 ]

Application In Synthesis of [ 941-91-3 ]

[ 941-91-3 ] Synthesis Path-Downstream 1~36

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