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1H-Isoindole,2,3-dihydro-5-methoxy-
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Name

1H-Isoindole,2,3-dihydro-5-methoxy-

 EINECS N/A
CAS No. 127168-88-1 Density 1.076g/cm3
PSA 21.26000 LogP 1.62720
Solubility N/A Melting Point N/A
Formula C9H11NO Boiling Point 254.14 °C at 760 mmHg
Molecular Weight 149.192 Flash Point 95.269 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 127168-88-1 (5-METHOXY-2,3-DIHYDRO-1H-ISOINDOLE) Hazard Symbols N/A
Synonyms

5-Methoxy-2,3-dihydro-1H-isoindole;5-Methoxyisoindoline;

Article Data 12

1H-Isoindole,2,3-dihydro-5-methoxy- Synthetic route

50727-04-3

4-methoxyphthalimide

127168-88-1

5-methoxy-2,3-dihydro-1H-isoindole

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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

5-hydroxy-isoindoline hydrobromide

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 2h;59%

tert-butyl 4-((1H-indazol-5-yl)amino)-2-chloro-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate

127168-88-1

5-methoxy-2,3-dihydro-1H-isoindole

tert-butyl 4-((1H-indazol-5-yl)amino)-2-(5-methoxyisoindolin-2-yl)-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate

Conditions
ConditionsYield
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

2-(2-chloropyrimidin-4-yl)-5-methoxyisoindoline

Conditions
ConditionsYield
With sodium carbonate In ethanol at 90℃; for 12h;47.8%

1H-Isoindole,2,3-dihydro-5-methoxy- 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

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