CAS No.230615-52-8,2,3,4,5-TETRAHYDRO-1H-1,5-METHANO-3-BENZAZEPINE HYDROCHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	230615-52-8
Name:	2,3,4,5-TETRAHYDRO-1H-1,5-METHANO-3-BENZAZEPINE HYDROCHLORIDE
Article Data:	3

Formula:	C₁₁H₁₃N^.HCl
Molecular Weight:	195.692
Synonyms:	1,5-Methano-1H-3-benzazepine,2,3,4,5-tetrahydro-, hydrochloride (9CI);
Boiling Point:	277.9 °C at 760 mmHg
Flash Point:	128.9 °C
PSA:	12.03000
LogP:	2.99150

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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

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

Raw Materials

230615-48-2

Downstream Products

230615-51-7

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Chemistry

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

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 .