5791-00-4|6-Chloro-2-methyl-2,4-dihydro-1,4-benzoxazin-3-one| Ambeed

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Quality Control of [ 5791-00-4 ] Purity: 98% SDS Specification

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Product Details of [ 5791-00-4 ]

CAS No. :	5791-00-4
Formula :	C₉H₈ClNO₂
M.W :	197.62
SMILES Code :	O=C1C(C)OC2=CC=C(Cl)C=C2N1
MDL No. :	MFCD01744501
InChI Key :	MGOCBXKZDZRPMK-UHFFFAOYSA-N
Pubchem ID :	22035

Safety of [ 5791-00-4 ]

GHS Pictogram:
Signal Word:	Danger
Hazard Statements:	H302-H319-H372-H410
Precautionary Statements:	P501-P273-P260-P270-P264-P280-P391-P314-P337+P313-P305+P351+P338-P301+P312+P330
Class:	9
UN#:	3077
Packing Group:	Ⅲ

Application In Synthesis of [ 5791-00-4 ]

* 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 [ 5791-00-4 ]

[ 5791-00-4 ] Synthesis Path-Downstream 1~26

1
[ 5791-00-4 ]
[ 4584-46-7 ]
6-chloro-4-(2-dimethylamino-ethyl)-2-methyl-4H-benzo[1,4]oxazin-3-one [ No CAS ]

References: [1]European Journal of Medicinal Chemistry,1975,vol. 10,p. 37 - 42.

2
[ 5791-00-4 ]
[ 869-24-9 ]
6-chloro-4-(2-diethylamino-ethyl)-2-methyl-4H-benzo[1,4]oxazin-3-one [ No CAS ]

References: [1]European Journal of Medicinal Chemistry,1975,vol. 10,p. 37 - 42.

3
[ 5791-00-4 ]
[ 5407-04-5 ]
6-chloro-4-(3-dimethylamino-propyl)-2-methyl-4H-benzo[1,4]oxazin-3-one [ No CAS ]

References: [1]European Journal of Medicinal Chemistry,1975,vol. 10,p. 37 - 42.

4
[ 5791-00-4 ]
[ 4535-85-7 ]
6-chloro-4-(3-diethylamino-propyl)-2-methyl-4H-benzo[1,4]oxazin-3-one [ No CAS ]

References: [1]European Journal of Medicinal Chemistry,1975,vol. 10,p. 37 - 42.

5
[ 5791-00-4 ]
[ 7250-67-1 ]
6-chloro-2-methyl-4-(2-pyrrolidin-1-yl-ethyl)-4H-benzo[1,4]oxazin-3-one [ No CAS ]

References: [1]European Journal of Medicinal Chemistry,1975,vol. 10,p. 37 - 42.

6
[ 5791-00-4 ]
1-(2-chloro-1-methyl-ethyl)-pyrrolidine; hydrochloride [ No CAS ]
[ 57462-89-2 ]

References: [1]European Journal of Medicinal Chemistry,1975,vol. 10,p. 37 - 42.

7
[ 5791-00-4 ]
[ 41821-55-0 ]
[ 57462-93-8 ]

References: [1]European Journal of Medicinal Chemistry,1975,vol. 10,p. 37 - 42.

8
[ 5791-00-4 ]
[ 3647-69-6 ]
6-chloro-2-methyl-4-(2-morpholin-4-yl-ethyl)-4H-benzo[1,4]oxazin-3-one [ No CAS ]

References: [1]European Journal of Medicinal Chemistry,1975,vol. 10,p. 37 - 42.

9
[ 5791-00-4 ]
[ 1217018-61-5 ]
6-chloro-2-methyl-4-[3-(4-methyl-piperazin-1-yl)-propyl]-4H-benzo[1,4]oxazin-3-one [ No CAS ]

References: [1]European Journal of Medicinal Chemistry,1975,vol. 10,p. 37 - 42.

10
[ 5791-00-4 ]
[ 108-14-5 ]
6-chloro-4-(3-dimethylamino-propyl)-2-methyl-4H-benzo[1,4]oxazin-3-one [ No CAS ]
6-chloro-4-(2-dimethylamino-1-methyl-ethyl)-2-methyl-4H-benzo[1,4]oxazin-3-one [ No CAS ]
[ 57462-81-4 ]

References: [1]European Journal of Medicinal Chemistry,1975,vol. 10,p. 37 - 42.

11
[ 5791-00-4 ]
[ 96-24-2 ]
[ 52042-24-7 ]

References: [1]European Journal of Medicinal Chemistry,1975,vol. 10,p. 37 - 42.

12
[ 5791-00-4 ]
[ 627-30-5 ]
[ 57463-00-0 ]

References: [1]European Journal of Medicinal Chemistry,1975,vol. 10,p. 37 - 42.

13
[ 5791-00-4 ]
[ 107-07-3 ]
[ 57462-99-4 ]

References: [1]European Journal of Medicinal Chemistry,1975,vol. 10,p. 37 - 42.

14
[ 5791-00-4 ]
[ 192648-00-3 ]

References: [1]Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry,1984,vol. 23,p. 1279 - 1283.

15
[ 7623-09-8 ]
[ 95-85-2 ]
[ 5791-00-4 ]

References: [1]Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry,1984,vol. 23,p. 1279 - 1283.

17
[ 5791-00-4 ]
3,6-dichloro-2-methyl-2H-benzo[1,4]oxazine [ No CAS ]

References: [1]Heterocyclic Communications,2003,vol. 9,p. 503 - 506.

18
[ 41978-69-2 ]
[ 95-85-2 ]
[ 5791-00-4 ]

References: [1]Chemistry - A European Journal,2011,vol. 17,p. 1884 - 1893.
[2]Tetrahedron Letters,2010,vol. 51,p. 1852 - 1855.
[3]Tetrahedron,2005,vol. 61,p. 6879 - 6885.

19
[ 5791-00-4 ]
2-chloro-6-methyl-8-phenyl-6,8-dihydro-5-oxa-7,8,9,11a-tetraaza-cyclopenta[b]phenanthren-11-one [ No CAS ]

References: [1]Heterocyclic Communications,2003,vol. 9,p. 503 - 506.

20
[ 5791-00-4 ]
[ 96753-84-3 ]

References: [1]Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry,1984,vol. 23,p. 1279 - 1283.

21
[ 5791-00-4 ]
N'-(6-Chloro-2-methyl-2H-benzo[1,4]oxazin-3-yl)-hydrazinecarboxylic acid ethyl ester [ No CAS ]

References: [1]Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry,1984,vol. 23,p. 1279 - 1283.

22
[ 5791-00-4 ]
3-(6-chloro-2-methyl-2,3-dihydro-benzo[1,4]oxazin-4-yl)-propane-1,2-diol [ No CAS ]

References: [1]European Journal of Medicinal Chemistry,1975,vol. 10,p. 37 - 42.

23
[ 5791-00-4 ]
6-chloro-2-methyl-4-(2-methylamino-ethyl)-4H-benzo[1,4]oxazin-3-one [ No CAS ]

References: [1]European Journal of Medicinal Chemistry,1975,vol. 10,p. 37 - 42.

24
[ 5791-00-4 ]
[ 57462-74-5 ]

References: [1]European Journal of Medicinal Chemistry,1975,vol. 10,p. 37 - 42.
[2]European Journal of Medicinal Chemistry,1975,vol. 10,p. 37 - 42.

25
[ 5791-00-4 ]
[ 57462-95-0 ]

References: [1]European Journal of Medicinal Chemistry,1975,vol. 10,p. 37 - 42.

26
[ 563-76-8 ]
[ 95-85-2 ]
[ 5791-00-4 ]

Yield	Reaction Conditions	Operation in experiment
93%	With sodium hydrogencarbonate; In water; acetone; at 20.0℃; for 3.0h;Heating / reflux;	To a solution of commercially available 2-amino-4-chloro-phenol (5.0 g) and NaHCO3 (7.7 g) in acetone/H2O was slowly added 2-bromopropionyl bromide (4 mL) at room temperature, before the mixture was heated to reflux for 3 h. The acetone was evaporated and the formed precipitate was isolated by filtration, washed with H2O and dried to afford the title compound as brown crystals (6.38 g, 93%). [MH]+ = 198.

References: [1]Patent: WO2006/128184,2006,A2 .Location in patent: Page/Page column 154.

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

Related Functional Groups of
[ 5791-00-4 ]

Chlorides

A845318 [1506636-10-7]

7-Chloro-2-Methyl-2H-benzo[b][1,4]oxazin-3(4H)-one

Similarity: 0.97

A873589 [1020054-99-2]

N-(5-Amino-2-methoxyphenyl)-2-(4-chlorophenoxy)propanamide

Similarity: 0.96

A261700 [124188-37-0]

6-Chloro-2,2-dimethyl-2H-benzo[b][1,4]oxazin-3(4H)-one

Similarity: 0.95

A380216 [1020055-19-9]

N-(5-Amino-2-methoxyphenyl)-2-(2-chlorophenoxy)propanamide

Similarity: 0.92

A590053 [954585-98-9]

N-(4-Aminophenyl)-2-(4-chlorophenoxy)propanamide

Similarity: 0.91

Amides

A845318 [1506636-10-7]

7-Chloro-2-Methyl-2H-benzo[b][1,4]oxazin-3(4H)-one

Similarity: 0.97

A873589 [1020054-99-2]

N-(5-Amino-2-methoxyphenyl)-2-(4-chlorophenoxy)propanamide

Similarity: 0.96

A261700 [124188-37-0]

6-Chloro-2,2-dimethyl-2H-benzo[b][1,4]oxazin-3(4H)-one

Similarity: 0.95

A380216 [1020055-19-9]

N-(5-Amino-2-methoxyphenyl)-2-(2-chlorophenoxy)propanamide

Similarity: 0.92

A590053 [954585-98-9]

N-(4-Aminophenyl)-2-(4-chlorophenoxy)propanamide

Similarity: 0.91

Related Parent Nucleus of
[ 5791-00-4 ]

Other Aromatic Heterocycles

A845318 [1506636-10-7]

7-Chloro-2-Methyl-2H-benzo[b][1,4]oxazin-3(4H)-one

Similarity: 0.97

A261700 [124188-37-0]

6-Chloro-2,2-dimethyl-2H-benzo[b][1,4]oxazin-3(4H)-one

Similarity: 0.95

A118095 [21744-83-2]

2-Methyl-2H-benzo[b][1,4]oxazin-3(4H)-one

Similarity: 0.88

A552041 [7652-29-1]

6-Chloro-2H-benzo[b][1,4]oxazin-3(4H)-one

Similarity: 0.88

Precautionary Statements-General
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P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
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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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CAS No.: 5791-00-4

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