Product Name

  • Name

    2,3,4,5-TETRAHYDRO-1H-1,5-METHANO-3-BENZAZEPINE HYDROCHLORIDE

  • EINECS
  • CAS No. 230615-52-8
  • Article Data3
  • CAS DataBase
  • Density
  • Solubility
  • Melting Point
  • Formula C11H13N.HCl
  • Boiling Point 277.9 °C at 760 mmHg
  • Molecular Weight 195.692
  • Flash Point 128.9 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 230615-52-8 (2,3,4,5-TETRAHYDRO-1H-1,5-METHANO-3-BENZAZEPINE HYDROCHLORIDE)
  • Hazard Symbols
  • Synonyms 1,5-Methano-1H-3-benzazepine,2,3,4,5-tetrahydro-, hydrochloride (9CI);
  • PSA 12.03000
  • LogP 2.99150

Synthetic route

10-Aza-tricyclo[6.3.1.02.7]dodeca-2(7),3,5-triene
69718-72-5

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

2,3,4,5-tetrahydro-1,5-methylene-1H-3-benzazepine hydrochloride
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%
3-benzyl-2,3,4,5-tetrahydro-1,5-methano-1H-3-benzazepine
230615-48-2

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

2,3,4,5-tetrahydro-1,5-methylene-1H-3-benzazepine hydrochloride
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;
2-indanone
615-13-4

2-indanone

2,3,4,5-tetrahydro-1,5-methylene-1H-3-benzazepine hydrochloride
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
1,3-dibromo-indan-2-one
39094-23-0

1,3-dibromo-indan-2-one

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

C11H6N2O

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

C11H8O5

2,3,4,5-tetrahydro-1,5-methylene-1H-3-benzazepine hydrochloride
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
2,3,4,5-tetrahydro-1,5-methylene-1H-3-benzazepine hydrochloride
230615-52-8

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

2-chloro-5-(chloromethyl)pyridine
70258-18-3

2-chloro-5-(chloromethyl)pyridine

C17H17ClN2

C17H17ClN2

Conditions
ConditionsYield
With tetrabutylammomium bromide; potassium carbonate In acetone for 6h; pH=10; Reflux;78.2%
2,3,4,5-tetrahydro-1,5-methylene-1H-3-benzazepine hydrochloride
230615-52-8

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

C11H7BrF7NO

C11H7BrF7NO

C22H19F7N2O

C22H19F7N2O

Conditions
ConditionsYield
With potassium carbonate; sodium iodide In acetonitrile at 60℃; for 18h;70%
2,3,4,5-tetrahydro-1,5-methylene-1H-3-benzazepine hydrochloride
230615-52-8

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

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

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%
2,3,4,5-tetrahydro-1,5-methylene-1H-3-benzazepine hydrochloride
230615-52-8

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

trifluoroacetic anhydride
407-25-0

trifluoroacetic anhydride

1-(10-aza-tricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-yl)-2,2,2-trifluoro-ethanone
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-methylene-1H-3-benzazepine hydrochloride
230615-52-8

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

(+/-)-2,2,2-trifluoro-1-(4-nitro-10-aza-tricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-yl)-ethanone
230615-53-9

(+/-)-2,2,2-trifluoro-1-(4-nitro-10-aza-tricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-yl)-ethanone

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: pyridine / dichloromethane
2: trifluorormethanesulfonic acid; nitric acid / dichloromethane
View Scheme
2,3,4,5-tetrahydro-1,5-methylene-1H-3-benzazepine hydrochloride
230615-52-8

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

1-(4-Iodo-10-aza-tricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-yl)-2,2,2-trifluoro-ethanone
230615-77-7

1-(4-Iodo-10-aza-tricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-yl)-2,2,2-trifluoro-ethanone

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: pyridine / dichloromethane
2: trifluorormethanesulfonic acid; nitric acid / dichloromethane
3: palladium-carbon / methanol
4: potassium iodide / sulfuric acid; water
View Scheme
2,3,4,5-tetrahydro-1,5-methylene-1H-3-benzazepine hydrochloride
230615-52-8

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

1-(4-amino-10-aza-tricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-yl)-2,2,2-trifluoro-ethanone
230615-56-2

1-(4-amino-10-aza-tricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-yl)-2,2,2-trifluoro-ethanone

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: pyridine / dichloromethane
2: trifluorormethanesulfonic acid; nitric acid / dichloromethane
3: palladium-carbon / methanol
View Scheme
2,3,4,5-tetrahydro-1,5-methylene-1H-3-benzazepine hydrochloride
230615-52-8

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

4-Acetyl-10-aza-tricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene-10-carboxylic acid tert-butyl ester
230615-81-3

4-Acetyl-10-aza-tricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene-10-carboxylic acid tert-butyl ester

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: pyridine / dichloromethane
2: acetyl chloride
3: 1,4-dioxane; methanol; water
View Scheme
2,3,4,5-tetrahydro-1,5-methylene-1H-3-benzazepine hydrochloride
230615-52-8

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

1-(4-Acetyl-10-aza-tricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-yl)-2,2,2-trifluoro-ethanone
230615-80-2

1-(4-Acetyl-10-aza-tricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-yl)-2,2,2-trifluoro-ethanone

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: pyridine / dichloromethane
2: acetyl chloride
View Scheme
2,3,4,5-tetrahydro-1,5-methylene-1H-3-benzazepine hydrochloride
230615-52-8

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

N-(10-Trifluorothioacetyl-10-aza-tricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-4-yl)-thioacetamide
357425-94-6

N-(10-Trifluorothioacetyl-10-aza-tricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-4-yl)-thioacetamide

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: pyridine / dichloromethane
2: trifluorormethanesulfonic acid; nitric acid / dichloromethane
3: palladium-carbon / methanol
4: triethylamine / dichloromethane
5: toluene
View Scheme
2,3,4,5-tetrahydro-1,5-methylene-1H-3-benzazepine hydrochloride
230615-52-8

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

N-(10-Trifluoroacetyl-10-aza-tricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-4-yl)-acetamide
230615-57-3

N-(10-Trifluoroacetyl-10-aza-tricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-4-yl)-acetamide

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: pyridine / dichloromethane
2: trifluorormethanesulfonic acid; nitric acid / dichloromethane
3: palladium-carbon / methanol
4: triethylamine / dichloromethane
View Scheme
2,3,4,5-tetrahydro-1,5-methylene-1H-3-benzazepine hydrochloride
230615-52-8

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

1-(10-AZATRICYCLO[6.3.1.02,7]DODECA-2(7),3,5-TRIEN-4-YL)-1-ETHANONE HYDROCHLORIDE
230615-31-3

1-(10-AZATRICYCLO[6.3.1.02,7]DODECA-2(7),3,5-TRIEN-4-YL)-1-ETHANONE HYDROCHLORIDE

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: pyridine / dichloromethane
2: acetyl chloride
3: 1,4-dioxane; methanol; water
4: methanol
View Scheme
2,3,4,5-tetrahydro-1,5-methylene-1H-3-benzazepine hydrochloride
230615-52-8

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

N1-[10-AZATRICYCLO[6.3.1.02,7]DODECA-2(7),3,5-TRIEN-4-YL]-ACETAMIDE HYDROCHLORIDE
230615-06-2

N1-[10-AZATRICYCLO[6.3.1.02,7]DODECA-2(7),3,5-TRIEN-4-YL]-ACETAMIDE HYDROCHLORIDE

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: pyridine / dichloromethane
2: trifluorormethanesulfonic acid; nitric acid / dichloromethane
3: palladium-carbon / methanol
4: triethylamine / dichloromethane
5: sodium carbonate / methanol; water
View Scheme

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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