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Cas Database |
| Name |
5-Chloro-N-methylisatoic anhydride |
EINECS | 238-551-6 |
| CAS No. | 14529-12-5 | Density | 1.477 g/cm3 |
| PSA | 52.21000 | LogP | 1.14510 |
| Solubility | N/A | Melting Point |
113 °C |
| Formula | C9H6ClNO3 | Boiling Point | 346.94 °C at 760 mmHg |
| Molecular Weight | 211.605 | Flash Point | 163.623 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
6-Chloro-1-methyl-1H-benzo[d][1,3]oxazine-2,4-dione;6-Chloro-1-methyl-2H-3,1-benzoxazine-2,4(1H)-dione;N-Methyl-5-chloroisatoicanhydride;N-methyl-5-Chloro-isatoic anhydride;2H-3,1-Benzoxazine-2,4(1H)-dione,6-chloro-1-methyl-; |
Article Data | 28 |
5-Chloro-N-methylisatoic anhydride Synthetic route
| Conditions | Yield |
|---|---|
| In ice-water; ISOPROPYLAMIDE | 90% |
| With sodium carbonate In N,N-dimethyl-formamide | 85.2% |
| With sodium hydride In N,N-dimethyl-formamide at 20℃; for 18h; Inert atmosphere; | 83% |
- 201230-82-2
carbon monoxide
- 932-96-7
N-methyl(p-chloroaniline)
- 14529-12-5
6-chloro-N-methylisatoic anhydride
| Conditions | Yield |
|---|---|
| With oxygen; copper diacetate; palladium diacetate; potassium iodide; Trimethylacetic acid In acetonitrile at 60℃; under 760.051 Torr; regioselective reaction; | 78% |
| Conditions | Yield |
|---|---|
| Stage #1: 5-Chloroisatoic anhydride With sodium hydride In N,N-dimethyl-formamide at 20℃; for 1h; Stage #2: methyl bromide In N,N-dimethyl-formamide for 18h; | 72% |
| With potassium carbonate In N,N-dimethyl-formamide at 80℃; |
- 201230-82-2
carbon monoxide
- 698-69-1
4-chloro-N,N-dimethylaniline
- 14529-12-5
6-chloro-N-methylisatoic anhydride
| Conditions | Yield |
|---|---|
| With dichloro bis(acetonitrile) palladium(II); oxygen; copper diacetate In N,N-dimethyl-formamide; toluene at 100℃; | 71% |
| With dichloro bis(acetonitrile) palladium(II); oxygen; copper diacetate In N,N-dimethyl-formamide; toluene at 100℃; under 760.051 Torr; for 24h; | 71% |
- 541-41-3
chloroformic acid ethyl ester
- 77-78-1
dimethyl sulfate
- 635-21-2
5-chloroanthranilic acid
- 14529-12-5
6-chloro-N-methylisatoic anhydride
| Conditions | Yield |
|---|---|
| (i) aq. NaOH, (ii) /BRN= 385653/, (iii) AcCl; Multistep reaction; |
| Conditions | Yield |
|---|---|
| With sodium hydride 1.) DMF, 2 h, 2.) 8 h; Multistep reaction; |
- 4743-17-3
5-Chloroisatoic anhydride
- 14529-12-5
6-chloro-N-methylisatoic anhydride
| Conditions | Yield |
|---|---|
| (i) NaH, AcNMe2, (ii) methyl halide; Multistep reaction; |
- 60434-13-1
5-chloro-1-methylindoline-2, 3-dione
- 14529-12-5
6-chloro-N-methylisatoic anhydride
| Conditions | Yield |
|---|---|
| With 3-chloro-benzenecarboperoxoic acid In dichloromethane at 20℃; |
- 65798-06-3, 17122-56-4
N-(4-chlorophenyl)-2-(hydroxyimino)ethanamide
- 14529-12-5
6-chloro-N-methylisatoic anhydride
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: H2SO4 / 80 °C 2: NaH / N,N-dimethyl-acetamide / 20 °C 3: mCPBA / CH2Cl2 / 20 °C View Scheme |
- 17630-76-1
5-chloroindole 2,3-dione
- 14529-12-5
6-chloro-N-methylisatoic anhydride
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: NaH / N,N-dimethyl-acetamide / 20 °C 2: mCPBA / CH2Cl2 / 20 °C View Scheme |
5-Chloro-N-methylisatoic anhydride Chemical Properties
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IUPAC Name: 6-Chloro-1-methyl-3,1-benzoxazine-2,4-dione
Canonical SMILES: CN1C2=C(C=C(C=C2)Cl)C(=O)OC1=O
InChI: InChI=1S/C9H6ClNO3/c1-11-7-3-2-5(10)4-6(7)8(12)14-9(11)13/h2-4H,1H3
InChIKey: FKTQNWWDMJDNHA-UHFFFAOYSA-N
Molecular Weight: 211.60184 [g/mol]
Molecular Formula: C9H6ClNO3
XLogP3-AA: 1.8
H-Bond Donor: 0
H-Bond Acceptor: 3
EINECS: 238-551-6
Index of Refraction: 1.597
Molar Refractivity: 48.85 cm3
Molar Volume: 143.3 cm3
Surface Tension: 52.9 dyne/cm
Density: 1.476 g/cm3
Flash Point: 163.6 °C
Enthalpy of Vaporization: 59.12 kJ/mol
Boiling Point: 346.9 °C at 760 mmHg
Vapour Pressure: 5.57E-05 mmHg at 25 °C
Classification Code of 5-Chloro-N-methylisatoic anhydride (CAS NO.14529-12-5): Reproductive Effect
5-Chloro-N-methylisatoic anhydride Specification
5-Chloro-N-methylisatoic anhydride (CAS NO.14529-12-5), its Synonyms are 2H-3,1-Benzoxazine-2,4(1H)-dione, 6-chloro-1-methyl- ; 6-Chloro-1-methyl-2H-3,1-benzoxazine-2,4(1H)-dione ; 6-Chloro-N-methyl IA .
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