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| CAS No.: | 127168-88-1 |
|---|---|
| Name: | 5-METHOXY-2,3-DIHYDRO-1H-ISOINDOLE |
| Article Data: | 12 |
| Molecular Structure: | |
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| Formula: | C9H11NO |
| Molecular Weight: | 149.192 |
| Synonyms: | 5-Methoxy-2,3-dihydro-1H-isoindole;5-Methoxyisoindoline; |
| Density: | 1.076g/cm3 |
| Boiling Point: | 254.14 °C at 760 mmHg |
| Flash Point: | 95.269 °C |
| PSA: | 21.26000 |
| LogP: | 1.62720 |
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- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 50727-04-3
4-methoxyphthalimide
- 127168-88-1
5-methoxy-2,3-dihydro-1H-isoindole
| Conditions | Yield |
|---|---|
| Stage #1: 4-methoxyphthalimide With borane-THF In tetrahydrofuran at 0℃; for 16h; Heating / reflux; Stage #2: With hydrogenchloride In tetrahydrofuran; methanol; water for 3h; Heating / reflux; | 47% |
| Stage #1: 4-methoxyphthalimide With borane-THF In tetrahydrofuran at 0℃; for 16h; Heating / reflux; Stage #2: With hydrogenchloride In tetrahydrofuran; methanol at 0℃; for 3h; Heating / reflux; | 47% |
| With borane In tetrahydrofuran at 0℃; for 16h; Heating / reflux; | 47% |
- 127168-89-2
N-benzylisoindolin-5-yl methyl ether
- 127168-88-1
5-methoxy-2,3-dihydro-1H-isoindole
| Conditions | Yield |
|---|---|
| With Pd(OH)2/C; ammonium formate In methanol Reflux; | |
| Stage #1: N-benzylisoindolin-5-yl methyl ether With hydrogen; acetic acid; palladium on carbon In methanol under 2327.23 Torr; for 23h; Stage #2: With sodium hydroxide; water In methanol |
- 1025424-06-9
5-methoxy-2-[(4-methylphenyl)sulfonyl]isoindoline
- 127168-88-1
5-methoxy-2,3-dihydro-1H-isoindole
| Conditions | Yield |
|---|---|
| With hydrogen bromide; phenol In propan-1-ol; water at 100℃; for 2h; |
- 4685-47-6
3,4-dimethylanisole
- 127168-88-1
5-methoxy-2,3-dihydro-1H-isoindole
- 127168-88-1
5-methoxy-2,3-dihydro-1H-isoindole
| Conditions | Yield |
|---|---|
| With hydrogen bromide In water at 100℃; | 95% |
| With hydrogen bromide In water for 16h; Heating / reflux; | 93% |
| With hydrogen bromide In water for 16h; Heating / reflux; | 93% |
- 127168-88-1
5-methoxy-2,3-dihydro-1H-isoindole
- 54544-67-1
5-hydroxyisoindoline
| Conditions | Yield |
|---|---|
| With hydrogen bromide at 100℃; for 2h; | 80% |
- 7693-44-9
4-bromophenyl chloroformate
- 127168-88-1
5-methoxy-2,3-dihydro-1H-isoindole
- 1620228-48-9
4-bromophenyl 5-methoxyisoindoline-2-carboxylate
| Conditions | Yield |
|---|---|
| With N-ethyl-N,N-diisopropylamine In dichloromethane at 0 - 20℃; for 1h; | 63% |
- 1620226-65-4
2-(4-(4-oxo-3,4-dihydrophthalazin-1-yl)phenyl)acetic acid
- 127168-88-1
5-methoxy-2,3-dihydro-1H-isoindole
- 1620222-40-3
4-(4-(2-(5-methoxyisoindolin-2-yl)-2-oxoethyl)phenyl)phthalazin-1(2H)-one
| Conditions | Yield |
|---|---|
| With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 2h; | 59% |
- 127168-88-1
5-methoxy-2,3-dihydro-1H-isoindole
| Conditions | Yield |
|---|---|
| With triethylamine In 1-methyl-pyrrolidin-2-one at 150℃; for 1h; | 48.9% |
- 3934-20-1
2,6-Dichloropyrimidine
- 127168-88-1
5-methoxy-2,3-dihydro-1H-isoindole
| Conditions | Yield |
|---|---|
| With sodium carbonate In ethanol at 90℃; for 12h; | 47.8% |
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Specification
The 1H-Isoindole,2,3-dihydro-5-methoxy-, with CAS registry number 127168-88-1, belongs to the following product category: Heterocycles series. It has the systematic name of 5-methoxy-2,3-dihydro-1H-isoindole. And the chemical formula of this chemical is C9H11NO.
Physical properties of 1H-Isoindole,2,3-dihydro-5-methoxy-: (1)ACD/LogP: 1.30; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 21.26 Å2; (11)Index of Refraction: 1.546; (12)Molar Refractivity: 43.842 cm3; (13)Molar Volume: 138.56 cm3; (14)Polarizability: 17.38×10-24cm3; (15)Surface Tension: 37.525 dyne/cm; (16)Density: 1.077 g/cm3; (17)Flash Point: 95.269 °C; (18)Enthalpy of Vaporization: 49.156 kJ/mol; (19)Boiling Point: 254.14 °C at 760 mmHg; (20)Vapour Pressure: 0.018 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc2c(c1)CNC2
(2)InChI: InChI=1/C9H11NO/c1-11-9-3-2-7-5-10-6-8(7)4-9/h2-4,10H,5-6H2,1H3
(3)InChIKey: BNBIUUBEQGUPJK-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C9H11NO/c1-11-9-3-2-7-5-10-6-8(7)4-9/h2-4,10H,5-6H2,1H3
(5)Std. InChIKey: BNBIUUBEQGUPJK-UHFFFAOYSA-N