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| CAS No.: | 890707-28-5 |
|---|---|
| Name: | Bardoxolone |
| Article Data: | 26 |
| Molecular Structure: | |
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| Formula: | C9H11ClN2O |
| Molecular Weight: | 198.652 |
| Synonyms: | 2-Amino-5-chloro-N,3-dimethylhenzamide |
| EINECS: | 618-233-7 |
| Density: | 1.239g/cm3 |
| Melting Point: | 130-132 °C |
| Boiling Point: | 308.8 °C at 760 mmHg |
| Flash Point: | 140.5 °C |
| PSA: | 58.61000 |
| LogP: | 2.74620 |
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
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- 90221-55-92-bromo-5-methylbenzaldehyde
- 97730-31-9(S)-4'-(2-Methylbutyl)Biphenyl-4-Carbonitrile
- 926293-55-26-Bromo-2-methylpyridine-3-carboxaldehyde
- 911112-05-55-Iodo-3-(trifluoromethyl)-2-pyridinamine
- 95789-13-21,3,7-trimethylpurine-2,6-dione
- 956104-42-02-Bromo-5-nitro-3-(trifluoromethyl)pyridine
- 79101-83-0
2-amino-3-methyl-5-chlorobenzoic acid methyl ester
- 74-89-5
methylamine
- 890707-28-5
2-amino-3-methyl-5-chlorobenzoyl-N-methylamine
| Conditions | Yield |
|---|---|
| In methanol at 65 - 68℃; for 5h; Temperature; | 98% |
| In methanol at 45℃; for 6h; | 97.2% |
| In ethylene glycol; acetonitrile at 0 - 70℃; for 17.5 - 23h; Product distribution / selectivity; | 84.8% |
- 74-89-5
methylamine
- 890707-28-5
2-amino-3-methyl-5-chlorobenzoyl-N-methylamine
| Conditions | Yield |
|---|---|
| In isopropyl alcohol at 60℃; for 7h; | 96.8% |
- 74-89-5
methylamine
- 890707-28-5
2-amino-3-methyl-5-chlorobenzoyl-N-methylamine
| Conditions | Yield |
|---|---|
| In methanol at 50℃; for 6h; | 95.4% |
- 120374-68-7
6-chloro-8-methyl-1H-benzo[d][1,3]oxazine-2,4-dione
- 74-89-5
methylamine
- 890707-28-5
2-amino-3-methyl-5-chlorobenzoyl-N-methylamine
| Conditions | Yield |
|---|---|
| With acetic acid In ethyl acetate at 35 - 45℃; for 0.333333h; | 95% |
| With acetic acid In ethyl acetate at 22 - 52℃; for 0.333333 - 2.75h; Product distribution / selectivity; | 93% |
| With acetic acid In water; acetonitrile at 25 - 30℃; for 2.5h; Product distribution / selectivity; | 87% |
- 120374-68-7
6-chloro-8-methyl-1H-benzo[d][1,3]oxazine-2,4-dione
- 593-51-1
methylamine hydrochloride
- 890707-28-5
2-amino-3-methyl-5-chlorobenzoyl-N-methylamine
| Conditions | Yield |
|---|---|
| With potassium hydrogencarbonate In acetonitrile at 25 - 30℃; for 3h; Solvent; Reagent/catalyst; Temperature; | 93.6% |
| Stage #1: methylamine hydrochloride With triethylamine In dichloromethane at 20℃; for 2h; Stage #2: 6-chloro-8-methyl-1H-benzo[d][1,3]oxazine-2,4-dione With acetic acid In dichloromethane; ethyl acetate Reflux; | |
| With potassium carbonate In ethanol at 25 - 80℃; for 5.5h; Reagent/catalyst; Temperature; |
- 20776-67-4
2-amino-5-chloro-3-methylbenzoic acid
- 74-89-5
methylamine
- 890707-28-5
2-amino-3-methyl-5-chlorobenzoyl-N-methylamine
| Conditions | Yield |
|---|---|
| Stage #1: 2-amino-5-chloro-3-methylbenzoic acid With benzotriazol-1-ol; diisopropyl-carbodiimide In dichloromethane at 20℃; for 2h; Stage #2: methylamine In dichloromethane at 0℃; for 2h; Temperature; | 92.6% |
| Stage #1: 2-amino-5-chloro-3-methylbenzoic acid With thionyl chloride for 3h; Reflux; Stage #2: methylamine In tetrahydrofuran; water at 20℃; Cooling with ice; | 59.3% |
| Stage #1: 2-amino-5-chloro-3-methylbenzoic acid With thionyl chloride for 3h; Reflux; Stage #2: methylamine In tetrahydrofuran; water at 20℃; for 12h; Cooling with ice; | 59.3% |
- 120374-68-7
6-chloro-8-methyl-1H-benzo[d][1,3]oxazine-2,4-dione
- 74-89-5
methylamine
A
- 890707-28-5
2-amino-3-methyl-5-chlorobenzoyl-N-methylamine
C
- 20776-67-4
2-amino-5-chloro-3-methylbenzoic acid
| Conditions | Yield |
|---|---|
| With water; acetic acid In ethyl acetate at 48 - 52℃; for 1h; Product distribution / selectivity; | A 87.3% B 3.4% C 1.7% |
- 870997-57-2
N-methyl-3-methyl-2-aminobenzamide
- 890707-28-5
2-amino-3-methyl-5-chlorobenzoyl-N-methylamine
| Conditions | Yield |
|---|---|
| With hydrogenchloride; dihydrogen peroxide; acetic acid at 5 - 20℃; | 85% |
| Stage #1: N-methyl-3-methyl-2-aminobenzamide With hydrogenchloride In N,N-dimethyl-formamide at 10 - 30℃; Stage #2: With sodium sulfite In water; N,N-dimethyl-formamide at 30 - 35℃; for 3.25h; Stage #3: With sodium hydroxide; sodium sulfite In water; N,N-dimethyl-formamide at 10℃; for 0.25h; pH=2.2; Product distribution / selectivity; | 72.7% |
| With N-chloro-succinimide In acetonitrile for 1h; Reflux; | |
| With sulfuryl dichloride In dichloromethane at 0 - 30℃; | |
| With thionyl chloride In acetonitrile at 40 - 50℃; |
- 201230-82-2
carbon monoxide
- 146948-68-7
2-bromo-4-chloro-6-methylphenylamine
- 74-89-5
methylamine
- 890707-28-5
2-amino-3-methyl-5-chlorobenzoyl-N-methylamine
| Conditions | Yield |
|---|---|
| palladium diacetate; 1,4-di(diphenylphosphino)-butane In ethylene glycol at 25 - 110℃; under 2842.59 Torr; Inert atmosphere; Sealed tube; | 70% |
- 74-89-5
methylamine
- 890707-28-5
2-amino-3-methyl-5-chlorobenzoyl-N-methylamine
| Conditions | Yield |
|---|---|
| In dichloromethane | |
| In dichloromethane |
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Specification
The 2-Amino-3-methyl-N-methylbenzamide, with CAS registry number 890707-28-5, has the systematic name of 2-amino-5-chloro-N,3-dimethyl-benzamide. Besides this, it is also called benzamide, 2-amino-5-chloro-N,3-dimethyl-. And the chemical formula of this chemical is C9H11ClN2O.
Physical properties of 2-Amino-3-methyl-N-methylbenzamide: (1)ACD/LogP: 2.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.15; (4)ACD/LogD (pH 7.4): 2.15; (5)#H bond acceptors: 3; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 55.12 Å2; (9)Index of Refraction: 1.586; (10)Molar Refractivity: 53.83 cm3; (11)Molar Volume: 160.2 cm3; (12)Polarizability: 21.34×10-24cm3; (13)Surface Tension: 47 dyne/cm; (14)Density: 1.239 g/cm3; (15)Flash Point: 140.5 °C; (16)Enthalpy of Vaporization: 54.95 kJ/mol; (17)Boiling Point: 308.8 °C at 760 mmHg; (18)Vapour Pressure: 0.000666 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(cc(c1N)C(=O)NC)Cl
(2)InChI: InChI=1/C9H11ClN2O/c1-5-3-6(10)4-7(8(5)11)9(13)12-2/h3-4H,11H2,1-2H3,(H,12,13)
(3)InChIKey: WOBVZGBINMTNKL-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C9H11ClN2O/c1-5-3-6(10)4-7(8(5)11)9(13)12-2/h3-4H,11H2,1-2H3,(H,12,13)
(5)Std. InChIKey: WOBVZGBINMTNKL-UHFFFAOYSA-N