ChemicalBook > CAS DataBase List > 5-CHLORO-1-METHYL-1H-BENZO[D][1,3]OXAZINE-2,4-DIONE

5-CHLORO-1-METHYL-1H-BENZO[D][1,3]OXAZINE-2,4-DIONE

Product Name: 5-CHLORO-1-METHYL-1H-BENZO[D][1,3]OXAZINE-2,4-DIONE
CAS No.: 40707-01-5
Chemical Name: 5-CHLORO-1-METHYL-1H-BENZO[D][1,3]OXAZINE-2,4-DIONE
Synonyms: LAQU-006;5-chloro-1-methyl-3,1-benzoxazine-2,4-dione;5-Chloro-1-methylbenzo[d][1,3]oxazine-2,4-dione;5-CHLORO-1-METHYL-1H-BENZO[D][1,3]OXAZINE-2,4-DIONE;2H-3,1-Benzoxazine-2,4(1H)-dione, 5-chloro-1-Methyl-;5-chloro-1-Methyl-2H-benzo[d][1,3]oxazine-2,4(1H)-dione
CBNumber: CB9839779
Molecular Formula: C9H6ClNO3
Formula Weight: 211.6
MOL File: 40707-01-5.mol

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5-CHLORO-1-METHYL-1H-BENZO[D][1,3]OXAZINE-2,4-DIONE Property

Melting point:: 217.9-218.2 °C
Boiling point:: 344.8±44.0 °C(Predicted)
Density: 1.476±0.06 g/cm3(Predicted)
storage temp.: under inert gas (nitrogen or Argon) at 2-8°C
pka: -3.48±0.20(Predicted)
Appearance: Light brown to brown Solid
InChI: InChI=1S/C9H6ClNO3/c1-11-6-4-2-3-5(10)7(6)8(12)14-9(11)13/h2-4H,1H3
InChIKey: BTNWNXWHFWYONH-UHFFFAOYSA-N
SMILES: N1(C)C2=CC=CC(Cl)=C2C(=O)OC1=O

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

TRC

Product number: C377298
Product name: 5-chloro-1-methyl-1H-benzo[d][1,3]oxazine-2,4-dione
Packaging: 10mg
Price: $45
Updated: 2021/12/16

ChemScene

Product number: CS-M1950
Product name: 5-Chloro-1-methyl-1H-benzo[d][1,3]oxazine-2,4-dione
Packaging: 250mg
Price: $57
Updated: 2021/12/16

AK Scientific

Product number: 3332AH
Product name: 5-Chloro-1-methyl-1H-benzo[D][1,3]oxazine-2,4-dione
Packaging: 250mg
Price: $131
Updated: 2021/12/16

ChemScene

Product number: CS-M1950
Product name: 5-Chloro-1-methyl-1H-benzo[d][1,3]oxazine-2,4-dione
Packaging: 1g
Price: $145
Updated: 2021/12/16

ChemScene

Product number: CS-M1950
Product name: 5-Chloro-1-methyl-1H-benzo[d][1,3]oxazine-2,4-dione
Packaging: 5g
Price: $435
Updated: 2021/12/16

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5-CHLORO-1-METHYL-1H-BENZO[D][1,3]OXAZINE-2,4-DIONE Chemical Properties,Usage,Production

Synthesis

20829-96-3

74-88-4

40707-01-5

General procedure for the synthesis of 5-chloro-1-methyl-1H-benzo[d][1,3]oxazine-2,4-diones from 5-chloro-1H-benzo[d][1,3]oxazine-2,4-diones and iodomethane: Iodomethane (2 mL, 4.6 mmol, 4 equiv) and N,N-diisopropylethylamine (DIPEA, 1 mL, 0.74 mol) were suspended at room temperature in N,N-dimethylacetamide (DMA, 10 mL) and stirred for 10 min. Subsequently, 5-chloroisatoic anhydride (200 mg, 1.01 mmol, 1 eq.) was added and the reaction mixture was stirred at 40 °C for 5 hours. Upon completion of the reaction, the resulting product 5-chloro-1-methyl-1H-benzo[d][1,3]oxazine-2,4-dione was collected by filtration and washed with distilled water to give the pure product (150 mg, 70% yield). The melting point of the product was 224 °C. Infrared spectra (KBr) showed characteristic absorption peaks υ1774, 1716, 1593 cm^-1. 1H NMR (DMSO-d6, 300 MHz) δ 7.78 (t, J = 8.1 Hz, 1H), 7.42 (m, 2H), 3.45 (s, 3H). Elemental analysis results: calculated values for C9H6ClNO3: C, 51.08; H, 2.86; Cl, 16.75; N, 6.62; O, 22.68. measured values: C, 51.12; H, 2.36; Cl, 16.71; N, 6.58.

References

[1] Organic Process Research and Development, 2007, vol. 11, # 4, p. 674 - 680
[2] Journal of Heterocyclic Chemistry, 2016, vol. 53, # 2, p. 437 - 440
[3] European Journal of Medicinal Chemistry, 2011, vol. 46, # 1, p. 1 - 10
[4] Monatshefte fur Chemie, 2016, vol. 147, # 6, p. 1069 - 1079
[5] Journal of Medicinal Chemistry, 2004, vol. 47, # 8, p. 2075 - 2088

5-CHLORO-1-METHYL-1H-BENZO[D][1,3]OXAZINE-2,4-DIONE Preparation Products And Raw materials

Raw materials

Preparation Products

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5-CHLORO-1-METHYL-1H-BENZO[D][1,3]OXAZINE-2,4-DIONE Suppliers

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40707-01-5, 5-CHLORO-1-METHYL-1H-BENZO[D][1,3]OXAZINE-2,4-DIONERelated Search:

5-Chloro-[1,2,4]triazolo[1,5-a]pyridine 5-CHLORO-3-HYDROXY (1H)INDAZOLE 5-CHLORO-1H-INDOL-3-METHYLAMINE 5-Chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid 5-Chloro-1,3,4-thiadiazol-2-ylamine 6-Chloro-3H-1,2,3-triazolo[4,5-c]pyridine 5-CHLORO-1H-PYRROLO[2,3-C]PYRIDINE Isatoic Anhydride Methyl 2-(methylamino)benzoate 3-CHLORO-N,N-DIMETHYLANILINE 2-Amino-6-chlorobenzoic acid 2-DIMETHYLAMINOBENZOIC ACID N-methylisatoic anhydride Methyl 2-chlorobenzoate 5-CHLORO-1-METHYL-1H-BENZO[D][1,3]OXAZINE-2,4-DIONE 5-CHLORO-3,1-BENZOXAZIN-2,4-DIONE 1,4-dihydro-2H-3,1-benzoxazin-2-one (2-AMINO-6-CHLORO-PHENYL)-METHANOL

2H-3,1-Benzoxazine-2,4(1H)-dione, 5-chloro-1-Methyl-

5-chloro-1-Methyl-2H-benzo[d][1,3]oxazine-2,4(1H)-dione

5-CHLORO-1-METHYL-1H-BENZO[D][1,3]OXAZINE-2,4-DIONE

5-chloro-1-methyl-3,1-benzoxazine-2,4-dione

LAQU-006

5-Chloro-1-methylbenzo[d][1,3]oxazine-2,4-dione

40707-01-5

C9H6ClNO3