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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

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
Molecular Weight:
211.6
MDL Number:
MFCD00047630
MOL File:
40707-01-5.mol
MSDS File:
SDS
Last updated:2026-05-28 05:07:44
Product description Number Pack Size Price
5-Chloro-1-methyl-1H-benzo[d][1,3]oxazine-2,4-dione 97% C50899 250mg $18
5-Chloro-1-methyl-1H-benzo[d][1,3]oxazine-2,4-dione 97% C50899 1g $30
5-Chloro-1-methyl-1H-benzo[d][1,3]oxazine-2,4-dione 97% C50899 5g $130
5-Chloro-1-methyl-1H-benzo[d][1,3]oxazine-2,4-dione 97% AA00C6A8 250mg $7
5-Chloro-1-methyl-1H-benzo[d][1,3]oxazine-2,4-dione 97% AA00C6A8 1g $17
More product size

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

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

SAFETY

Risk and Safety Statements

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P305+P351+P338

5-CHLORO-1-METHYL-1H-BENZO[D][1,3]OXAZINE-2,4-DIONE price More Price(20)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Synthonix C50899 5-Chloro-1-methyl-1H-benzo[d][1,3]oxazine-2,4-dione 97% 40707-01-5 250mg $18 2026-05-06 Buy
Synthonix C50899 5-Chloro-1-methyl-1H-benzo[d][1,3]oxazine-2,4-dione 97% 40707-01-5 1g $30 2026-05-06 Buy
Synthonix C50899 5-Chloro-1-methyl-1H-benzo[d][1,3]oxazine-2,4-dione 97% 40707-01-5 5g $130 2026-05-06 Buy
aablocks AA00C6A8 5-Chloro-1-methyl-1H-benzo[d][1,3]oxazine-2,4-dione 97% 40707-01-5 250mg $7 2026-05-28 Buy
aablocks AA00C6A8 5-Chloro-1-methyl-1H-benzo[d][1,3]oxazine-2,4-dione 97% 40707-01-5 1g $17 2026-05-28 Buy
Product number Packaging Price Buy
C50899 250mg $18 Buy
C50899 1g $30 Buy
C50899 5g $130 Buy
AA00C6A8 250mg $7 Buy
AA00C6A8 1g $17 Buy

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

Synthesis

5-CHLORO-3,1-BENZOXAZIN-2,4-DIONE

20829-96-3

Iodomethane

74-88-4

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

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

20829-96-3
74-88-4
40707-01-5
Synthesis of 5-CHLORO-1-METHYL-1H-BENZO[D][1,3]OXAZINE-2,4-DIONE from 5-CHLORO-3,1-BENZOXAZIN-2,4-DIONE and Iodomethane

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

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

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
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