CAS No.127168-88-1,5-METHOXY-2,3-DIHYDRO-1H-ISOINDOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	127168-88-1
Name:	5-METHOXY-2,3-DIHYDRO-1H-ISOINDOLE
Article Data:	12

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

Synthetic route

: 50727-04-3
4-methoxyphthalimide

: 127168-88-1
5-methoxy-2,3-dihydro-1H-isoindole

Conditions

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

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

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

: 5-hydroxy-isoindoline hydrobromide

Conditions

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

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

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

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%

: 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

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

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

Conditions

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