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2,3,4,5-Tetrahydro-1,5-methano-1H-3-benzazepine hydrochloride
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Name

2,3,4,5-Tetrahydro-1,5-methano-1H-3-benzazepine hydrochloride

 EINECS N/A
CAS No. 230615-52-8 Density N/A
PSA 12.03000 LogP 2.99150
Solubility N/A Melting Point N/A
Formula C11H13N.HCl Boiling Point 277.9 °C at 760 mmHg
Molecular Weight 195.692 Flash Point 128.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 230615-52-8 (2,3,4,5-TETRAHYDRO-1H-1,5-METHANO-3-BENZAZEPINE HYDROCHLORIDE) Hazard Symbols N/A
Synonyms

1,5-Methano-1H-3-benzazepine,2,3,4,5-tetrahydro-, hydrochloride (9CI);

Article Data 3

2,3,4,5-Tetrahydro-1,5-methano-1H-3-benzazepine hydrochloride Synthetic route

69718-72-5

10-Aza-tricyclo[6.3.1.02.7]dodeca-2(7),3,5-triene

230615-52-8

2,3,4,5-tetrahydro-1,5-methylene-1H-3-benzazepine hydrochloride

Conditions
ConditionsYield
With hydrogenchloride In methanol at 0 - 5℃; Solvent;96%
230615-48-2

3-benzyl-2,3,4,5-tetrahydro-1,5-methano-1H-3-benzazepine

230615-52-8

2,3,4,5-tetrahydro-1,5-methylene-1H-3-benzazepine hydrochloride

Conditions
ConditionsYield
With hydrogenchloride; hydrogen; palladium(II) hydroxide In methanol at 20 - 40℃; under 3677.86 - 4413.43 Torr;89.24%
Stage #1: 3-benzyl-2,3,4,5-tetrahydro-1,5-methano-1H-3-benzazepine With ammonium formate; palladium(II) hydroxide In methanol for 0.5h; Inert atmosphere of nitrogen; Reflux;
Stage #2: With hydrogenchloride In ethyl acetate at 0 - 5℃; for 1h; pH=1 - 2;
615-13-4

2-indanone

230615-52-8

2,3,4,5-tetrahydro-1,5-methylene-1H-3-benzazepine hydrochloride

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1.1: acetic acid; bromine / 2 h / 25 °C / Cooling with ice
2.1: ethanol; water / 5 h / 20 °C
3.1: potassium hydroxide; water / ethanol / 4 h / 75 °C
4.1: acetic anhydride / 5 h / 100 °C
4.2: 3 h / 75 °C
5.1: sodium tetrahydroborate / tetrahydrofuran / 6 h / 20 °C / Cooling with ice
6.1: hydrogenchloride / methanol / 0 - 5 °C
View Scheme
39094-23-0

1,3-dibromo-indan-2-one

230615-52-8

2,3,4,5-tetrahydro-1,5-methylene-1H-3-benzazepine hydrochloride

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1.1: ethanol; water / 5 h / 20 °C
2.1: potassium hydroxide; water / ethanol / 4 h / 75 °C
3.1: acetic anhydride / 5 h / 100 °C
3.2: 3 h / 75 °C
4.1: sodium tetrahydroborate / tetrahydrofuran / 6 h / 20 °C / Cooling with ice
5.1: hydrogenchloride / methanol / 0 - 5 °C
View Scheme

C11H6N2O

230615-52-8

2,3,4,5-tetrahydro-1,5-methylene-1H-3-benzazepine hydrochloride

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: potassium hydroxide; water / ethanol / 4 h / 75 °C
2.1: acetic anhydride / 5 h / 100 °C
2.2: 3 h / 75 °C
3.1: sodium tetrahydroborate / tetrahydrofuran / 6 h / 20 °C / Cooling with ice
4.1: hydrogenchloride / methanol / 0 - 5 °C
View Scheme

C11H8O5

230615-52-8

2,3,4,5-tetrahydro-1,5-methylene-1H-3-benzazepine hydrochloride

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: acetic anhydride / 5 h / 100 °C
1.2: 3 h / 75 °C
2.1: sodium tetrahydroborate / tetrahydrofuran / 6 h / 20 °C / Cooling with ice
3.1: hydrogenchloride / methanol / 0 - 5 °C
View Scheme
230615-52-8

2,3,4,5-tetrahydro-1,5-methylene-1H-3-benzazepine hydrochloride

70258-18-3

2-chloro-5-(chloromethyl)pyridine

C17H17ClN2

Conditions
ConditionsYield
With tetrabutylammomium bromide; potassium carbonate In acetone for 6h; pH=10; Reflux;78.2%
230615-52-8

2,3,4,5-tetrahydro-1,5-methylene-1H-3-benzazepine hydrochloride

C11H7BrF7NO

C22H19F7N2O

Conditions
ConditionsYield
With potassium carbonate; sodium iodide In acetonitrile at 60℃; for 18h;70%
230615-52-8

2,3,4,5-tetrahydro-1,5-methylene-1H-3-benzazepine hydrochloride

1184086-20-1

4-methoxy-3-(2,2,2-trifluoroacetamido)benzenesulfonyl chloride

2-methoxy-5-((1,2,4,5-tetrahydro-3H-1,5-methanobenzo[d]azepin-3-yl)sulfonyl)aniline

Conditions
ConditionsYield
Stage #1: 2,3,4,5-tetrahydro-1,5-methylene-1H-3-benzazepine hydrochloride; 4-methoxy-3-(2,2,2-trifluoroacetamido)benzenesulfonyl chloride With dmap; triethylamine In dichloromethane for 1h; Inert atmosphere;
Stage #2: With hydrogenchloride In ethanol; water for 16h; Inert atmosphere; Reflux;		65%
230615-52-8

2,3,4,5-tetrahydro-1,5-methylene-1H-3-benzazepine hydrochloride

407-25-0

trifluoroacetic anhydride

230615-51-7

1-(10-aza-tricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-yl)-2,2,2-trifluoro-ethanone

Conditions
ConditionsYield
With triethylamine In dichloromethane at 0 - 20℃; Product distribution / selectivity;
With pyridine In dichloromethane at 0℃; for 0.166667h;
With pyridine In dichloromethane

2,3,4,5-Tetrahydro-1,5-methano-1H-3-benzazepine hydrochloride Chemical Properties

Empirical Formula: C11H14ClN
Molecular Weight: 195.6886g/mol
Structure of 1,5-Methano-1H-3-benzazepine,2,3,4,5-tetrahydro-, hydrochloride (1:1) (CAS NO.230615-52-8):

Flash Point: 128.9 °C
Enthalpy of Vaporization: 51.65 kJ/mol
Boiling Point: 277.9 °C at 760 mmHg
Vapour Pressure: 0.00439 mmHg at 25°C 
Systematic Name: 2,3,4,5-tetrahydro-1H-1,5-methano-3-benzazepine hydrochloride (1:1)
SMILES: Cl.c1c2c(ccc1)C3CC2CNC3
InChI: InChI=1/C11H13N.ClH/c1-2-4-11-9-5-8(6-12-7-9)10(11)3-1;/h1-4,8-9,12H,5-7H2;1H
InChIKey: WWJDLIUDQHFAGC-UHFFFAOYAL

2,3,4,5-Tetrahydro-1,5-methano-1H-3-benzazepine hydrochloride Specification

  1,5-Methano-1H-3-benzazepine,2,3,4,5-tetrahydro-, hydrochloride (1:1) , its cas register number is 230615-52-8. It also can be called 10-Azatricyclo[6.3.1.0~2,7~]dodeca-2,4,6-triene hydrochloride (1:1) ; 1,5-Methano-1H-3-benzazepine, 2,3,4,5-tetrahydro-, hydrochloride ; 2,3,4,5-Tetrahydro-1,5-methano-1H-3-benzazepine hydrochloride .

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