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3-Methyl-5-(phenylmethoxy)-2-[4-(phenylmethoxy)phenyl]-1H-indole
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Name

3-Methyl-5-(phenylmethoxy)-2-[4-(phenylmethoxy)phenyl]-1H-indole

 EINECS 1592732-453-0
CAS No. 198479-63-9 Density 1.189 g/cm3
PSA 34.25000 LogP 7.30130
Solubility N/A Melting Point N/A
Formula C29H25NO2 Boiling Point 620.486 °C at 760 mmHg
Molecular Weight 419.523 Flash Point 213.925 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 198479-63-9 (3-METHYL-5-(PHENYLMETHOXY)-2-[4-(PHENYLMETHOXY)PHENYL]-1H-INDOLE) Hazard Symbols N/A
Synonyms

3-METHYL-5-(PHENYLMETHOXY)-2-[4-(PHENYLMETHOXY)PHENYL]-1H-INDOLE;1H-Indole, 3-Methyl-5-(phenylMethoxy)-2-[4-(phenylMethoxy)phenyl]-

Article Data 24

3-Methyl-5-(phenylmethoxy)-2-[4-(phenylmethoxy)phenyl]-1H-indole Synthetic route

35081-45-9

1-<4-(benzyloxy)phenyl>-2-bromo-1-propanone

51388-20-6

4-benzyloxyaniline hydrochloride

198479-63-9

5-benzyloxy-2-(4-benzyloxy-phenyl)-3-methyl-1H-indole

Conditions
ConditionsYield
With triethylamine In N,N-dimethyl-formamide at 115℃; for 4h; Temperature; Reagent/catalyst;94.6%
Stage #1: 1-<4-(benzyloxy)phenyl>-2-bromo-1-propanone; 4-benzyloxyaniline hydrochloride With triethylamine In butan-1-ol at 118℃; for 3h; Bischler-Moehlau Indole Synthesis;
Stage #2: With hydrogenchloride In water; butan-1-ol at 118℃; for 7h; Temperature; Reagent/catalyst; Bischler-Moehlau Indole Synthesis;		90.5%
With triethylamine In N,N-dimethyl-formamide at 120 - 150℃; for 4h; Bischler indole synthesis; Inert atmosphere;84.9%
4495-66-3

4-benzyloxypropiophenone

52068-30-1

4-benzyloxyphenylhydrazine hydrochloride

198479-63-9

5-benzyloxy-2-(4-benzyloxy-phenyl)-3-methyl-1H-indole

Conditions
ConditionsYield
With acetic acid In ethanol at 75 - 80℃; Product distribution / selectivity;94%
acetic acid In ethanol at 75 - 80℃; for 12h; Product distribution / selectivity;94%
With hydrogenchloride In ethanol for 2h; Reflux;84%

C33H27N3O2

198479-63-9

5-benzyloxy-2-(4-benzyloxy-phenyl)-3-methyl-1H-indole

Conditions
ConditionsYield
With sodium ethanolate In ethanol; dimethyl sulfoxide at 100℃; for 20h;85%
With sodium ethanolate In dimethyl sulfoxide at 130℃;72%

1-(4-benzyloxyphenyl)-2-morpholin-4-yl-propan-1-one

51388-20-6

4-benzyloxyaniline hydrochloride

198479-63-9

5-benzyloxy-2-(4-benzyloxy-phenyl)-3-methyl-1H-indole

Conditions
ConditionsYield
In chlorobenzene at 125 - 130℃; for 8h; Large scale;83.5%
1048697-94-4

1-(4-benzyloxyphenyl)-2-(4-benzyloxy-phenylamino)-1-propanone

51388-20-6

4-benzyloxyaniline hydrochloride

198479-63-9

5-benzyloxy-2-(4-benzyloxy-phenyl)-3-methyl-1H-indole

Conditions
ConditionsYield
In isopropyl alcohol at 110 - 115℃; for 5h; Product distribution / selectivity;82%
In ethanol at 110 - 115℃; for 5h; Product distribution / selectivity;79%
1048697-94-4

1-(4-benzyloxyphenyl)-2-(4-benzyloxy-phenylamino)-1-propanone

6373-46-2

p-benzyloxyaniline

198479-63-9

5-benzyloxy-2-(4-benzyloxy-phenyl)-3-methyl-1H-indole

Conditions
ConditionsYield
In 2-ethoxy-ethanol for 6h; Reflux;80.5%

4’-benzyloxy-2-bromophenyl propiophenone

51388-20-6

4-benzyloxyaniline hydrochloride

198479-63-9

5-benzyloxy-2-(4-benzyloxy-phenyl)-3-methyl-1H-indole

Conditions
ConditionsYield
With triethylamine In N,N-dimethyl-formamide for 2.5h; Reflux;65%

4’-benzyloxy-2-bromophenyl propiophenone

6373-46-2

p-benzyloxyaniline

198479-63-9

5-benzyloxy-2-(4-benzyloxy-phenyl)-3-methyl-1H-indole

Conditions
ConditionsYield
In dichloromethane; ethyl acetate; N,N-dimethyl-formamide33%
In dichloromethane; ethyl acetate; N,N-dimethyl-formamide33%
In dichloromethane; ethyl acetate; N,N-dimethyl-formamide33%

4-benzyloxy-2-bromophenylpropiophenone

6373-46-2

p-benzyloxyaniline

198479-63-9

5-benzyloxy-2-(4-benzyloxy-phenyl)-3-methyl-1H-indole

Conditions
ConditionsYield
In dichloromethane; ethyl acetate; N,N-dimethyl-formamide33%
6373-46-2

p-benzyloxyaniline

4495-66-3

4-benzyloxypropiophenone

198479-63-9

5-benzyloxy-2-(4-benzyloxy-phenyl)-3-methyl-1H-indole

Conditions
ConditionsYield
With triethylamine In N,N-dimethyl-formamide at 125℃; for 6h;23%

3-Methyl-5-(phenylmethoxy)-2-[4-(phenylmethoxy)phenyl]-1H-indole Chemical Properties

Molecular Structure of 3-Methyl-5-(phenylmethoxy)-2-[4-(phenylmethoxy)phenyl]-1H-indole (CAS NO.198479-63-9):

Systematic Name: 5-(Benzyloxy)-2-[4-(benzyloxy)phenyl]-3-methyl-1H-indole 
Molecular Formula: C29H25NO2
Molecular Weight: 419.51 
Mol File: 198479-63-9.mol 
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 7
Index of Refraction: 1.66
Molar Refractivity: 130.27 cm3
Molar Volume: 352.8 cm3
Surface Tension: 50.2 dyne/cm
Density: 1.188 g/cm3
Flash Point: 213.9 °C
Enthalpy of Vaporization: 88.59 kJ/mol
Boiling Point: 620.5 °C at 760 mmHg
Vapour Pressure: 1.19E-14 mmHg at 25 °C
SMILES: O(c4ccc(c3c(c2cc(OCc1ccccc1)ccc2n3)C)cc4)Cc5ccccc5
InChI: InChI=1/C29H25NO2/c1-21-27-18-26(32-20-23-10-6-3-7-11-23)16-17-28(27)30-29(21)24-12-14-25(15-13-24)31-19-22-8-4-2-5-9-22/h2-18,30H,19-20H2,1H3
InChIKey: KRIJKJMYOVWRSJ-UHFFFAOYAN

3-Methyl-5-(phenylmethoxy)-2-[4-(phenylmethoxy)phenyl]-1H-indole Specification

 3-Methyl-5-(phenylmethoxy)-2-[4-(phenylmethoxy)phenyl]-1H-indole (CAS NO.198479-63-9), its Synonyms are 1H-Indole,3-methyl-5-(phenylmethoxy)-2-[4-(phenylmethoxy)phenyl]- ; 5-(Benzyloxy)-2-[4-(benzyloxy)phenyl]-3-methyl-1H-indole ; 5-Benzyloxy-2-(4-benzyloxy-phenyl)-3-methyl-1H-indole .

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