Product Name

  • Name

    2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINE

  • EINECS 807-686-8
  • CAS No. 4424-20-8
  • Article Data18
  • CAS DataBase
  • Density 0.981 g/cm3
  • Solubility
  • Melting Point
  • Formula C10H13N
  • Boiling Point 258.8 °C at 760 mmHg
  • Molecular Weight 147.22
  • Flash Point 114.9 °C
  • Transport Information
  • Appearance
  • Safety 23-26-36/37/39-45
  • Risk Codes 20/21/22-34
  • Molecular Structure Molecular Structure of 4424-20-8 (2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINE)
  • Hazard Symbols IrritantXi
  • Synonyms 2,3,4,5-Tetrahydro-1H-3-benzazepine;2,3,4,5-Tetrahydro-1H-benzo[d]azepine;5-Azabenzocycloheptene;
  • PSA 12.03000
  • LogP 1.70360

Synthetic route

1,2-phenylenebis(ethane-2,1-diyl) dimethanesulfonate
130800-04-3

1,2-phenylenebis(ethane-2,1-diyl) dimethanesulfonate

2,3,4,5-tetrahydro-1H-3-benzazepine
4424-20-8

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

Conditions
ConditionsYield
With ammonia at 90℃; for 3h; Sealed tube;100%
Stage #1: 1,2-phenylenebis(ethane-2,1-diyl) dimethanesulfonate With ammonia In water; acetonitrile at 100℃; under 2068.65 Torr; for 1h;
Stage #2: With hydrogenchloride; water In acetonitrile pH=4;
Stage #3: With sodium hydroxide In diethyl ether; water; acetonitrile pH=14;
81%
With ammonia In ethanol; water at 80℃; for 0.666667h; Microwave;73%
With ammonia In acetonitrile at 100℃; under 2068.65 Torr; for 1h; Autoclave;20%
3-benzyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine

3-benzyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine

2,3,4,5-tetrahydro-1H-3-benzazepine
4424-20-8

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

Conditions
ConditionsYield
With hydrogenchloride; palladium 10% on activated carbon In ethanol; water at 20℃; for 48h;95%
3-formyl-2,3,4,5-tetrahydro-1H-3-benzazepine
215033-43-5

3-formyl-2,3,4,5-tetrahydro-1H-3-benzazepine

2,3,4,5-tetrahydro-1H-3-benzazepine
4424-20-8

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

Conditions
ConditionsYield
With sodium hydroxide In ethanol for 1h; Hydrolysis; Heating;77%
1,2-phenylenediacetonitrile
613-73-0

1,2-phenylenediacetonitrile

2,3,4,5-tetrahydro-1H-3-benzazepine
4424-20-8

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

Conditions
ConditionsYield
With ammonia; hydrogen; nickel In ethanol at 50℃; under 51714.8 Torr; for 24h;60%
With ammonia; hydrogen; Raney Nickel In methanol at 70℃; under 36201.3 Torr; for 48h;47%
In ethanol; dichloromethane35%
1,2-phenylenediacetonitrile
613-73-0

1,2-phenylenediacetonitrile

A

2,3,4,5-tetrahydro-1H-3-benzazepine
4424-20-8

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

B

2,2'-o-phenylene-bis-ethylamine
42988-81-8

2,2'-o-phenylene-bis-ethylamine

Conditions
ConditionsYield
With ethanol; ammonia; nickel under 51485.6 Torr; Hydrogenation;
lactam of/the/ 2-<β-amino-ethyl>-phenylacetic acid

lactam of/the/ 2-<β-amino-ethyl>-phenylacetic acid

2,3,4,5-tetrahydro-1H-3-benzazepine
4424-20-8

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

Conditions
ConditionsYield
With ethanol; sodium
ethanol
64-17-5

ethanol

ammonia
7664-41-7

ammonia

1,2-phenylenediacetonitrile
613-73-0

1,2-phenylenediacetonitrile

nickel

nickel

A

2,3,4,5-tetrahydro-1H-3-benzazepine
4424-20-8

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

B

2,2'-o-phenylene-bis-ethylamine
42988-81-8

2,2'-o-phenylene-bis-ethylamine

Conditions
ConditionsYield
unter Druck.Hydrogenation;
phenethylamine
64-04-0

phenethylamine

2,3,4,5-tetrahydro-1H-3-benzazepine
4424-20-8

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

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1: 63 percent / Na2CO3; NaI; tetrabutylammonium bromide / dioxane / Heating
2: 99 percent / acetic anhydride / 1 h / 60 °C
3: 92 percent / aq. NaIO4 / methanol / 1.5 h / 20 °C
4: 47 percent / TFAA; BF3*Et2O / benzene / 2 h / 20 °C
5: 77 percent / NiCl2*6H2O; NaBH4 / methanol; tetrahydrofuran / 0.33 h / 20 °C
6: 77 percent / aq. NaOH / ethanol / 1 h / Heating
View Scheme
N-(2-phenylethyl)-2-phenylsulfanylethylamine
304011-19-6

N-(2-phenylethyl)-2-phenylsulfanylethylamine

2,3,4,5-tetrahydro-1H-3-benzazepine
4424-20-8

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

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: 99 percent / acetic anhydride / 1 h / 60 °C
2: 92 percent / aq. NaIO4 / methanol / 1.5 h / 20 °C
3: 47 percent / TFAA; BF3*Et2O / benzene / 2 h / 20 °C
4: 77 percent / NiCl2*6H2O; NaBH4 / methanol; tetrahydrofuran / 0.33 h / 20 °C
5: 77 percent / aq. NaOH / ethanol / 1 h / Heating
View Scheme
N-(2-phenylethyl)-N-(2-phenylsulfanylethyl)formamide
304011-24-3

N-(2-phenylethyl)-N-(2-phenylsulfanylethyl)formamide

2,3,4,5-tetrahydro-1H-3-benzazepine
4424-20-8

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

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: 92 percent / aq. NaIO4 / methanol / 1.5 h / 20 °C
2: 47 percent / TFAA; BF3*Et2O / benzene / 2 h / 20 °C
3: 77 percent / NiCl2*6H2O; NaBH4 / methanol; tetrahydrofuran / 0.33 h / 20 °C
4: 77 percent / aq. NaOH / ethanol / 1 h / Heating
View Scheme
3-formyl-1-phenylsulfanyl-2,3,4,5-tetrahydro-1H-3-benzazepine
304011-32-3

3-formyl-1-phenylsulfanyl-2,3,4,5-tetrahydro-1H-3-benzazepine

2,3,4,5-tetrahydro-1H-3-benzazepine
4424-20-8

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

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 77 percent / NiCl2*6H2O; NaBH4 / methanol; tetrahydrofuran / 0.33 h / 20 °C
2: 77 percent / aq. NaOH / ethanol / 1 h / Heating
View Scheme
N-(2-phenylethyl)-N-(2-phenylsulfinylethyl)formamide
304011-27-6

N-(2-phenylethyl)-N-(2-phenylsulfinylethyl)formamide

2,3,4,5-tetrahydro-1H-3-benzazepine
4424-20-8

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

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 47 percent / TFAA; BF3*Et2O / benzene / 2 h / 20 °C
2: 77 percent / NiCl2*6H2O; NaBH4 / methanol; tetrahydrofuran / 0.33 h / 20 °C
3: 77 percent / aq. NaOH / ethanol / 1 h / Heating
View Scheme
1,3,4,5-tetrahydro-2H-benzo[d]azepin-2-one
15987-50-5

1,3,4,5-tetrahydro-2H-benzo[d]azepin-2-one

2,3,4,5-tetrahydro-1H-3-benzazepine
4424-20-8

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

Conditions
ConditionsYield
With borane-THF
1,2-Phenylenediacetic acid
7500-53-0

1,2-Phenylenediacetic acid

2,3,4,5-tetrahydro-1H-3-benzazepine
4424-20-8

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

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: lithium aluminium tetrahydride / tetrahydrofuran / 0 - 20 °C
2: triethylamine / dichloromethane / 0.5 h / 0 °C
3: ammonia / acetonitrile / 1 h / 100 °C / 2068.65 Torr / Autoclave
View Scheme
Multi-step reaction with 3 steps
1: lithium aluminium tetrahydride / tetrahydrofuran / 16 h / Reflux
2: triethylamine / dichloromethane / 0.5 h / 20 °C
3: ammonia / 3 h / 90 °C / Sealed tube
View Scheme
2,2’-(1,2-phenylene)diethanol
17378-99-3

2,2’-(1,2-phenylene)diethanol

2,3,4,5-tetrahydro-1H-3-benzazepine
4424-20-8

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

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: triethylamine / dichloromethane / 0.5 h / 0 °C
2: ammonia / acetonitrile / 1 h / 100 °C / 2068.65 Torr / Autoclave
View Scheme
Multi-step reaction with 2 steps
1: triethylamine / dichloromethane / 0.5 h / 20 °C
2: ammonia / 3 h / 90 °C / Sealed tube
View Scheme
2,3,4,5-tetrahydro-1H-3-benzazepine
4424-20-8

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

trifluoroacetic anhydride
407-25-0

trifluoroacetic anhydride

3-trifluoroacetyl-2,3,4,5-tetrahydro-1H-3-benzazepine
158726-30-8

3-trifluoroacetyl-2,3,4,5-tetrahydro-1H-3-benzazepine

Conditions
ConditionsYield
With triethylamine In dichloromethane at 0℃; for 1h;100%
In dichloromethane at -20 - 20℃; for 12h;98%
With pyridine In dichloromethane at 0 - 20℃; Inert atmosphere;97%
2,3,4,5-tetrahydro-1H-3-benzazepine
4424-20-8

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

4-Chlorophenyl isothiocyanate
2131-55-7

4-Chlorophenyl isothiocyanate

N-(4-Chlorophenyl)-1 ,2,4,5-tetrahydro-3H-3-benzazepine-3-carbothioamide
915104-43-7

N-(4-Chlorophenyl)-1 ,2,4,5-tetrahydro-3H-3-benzazepine-3-carbothioamide

Conditions
ConditionsYield
In dichloromethane at 20℃; for 1h;100%
2,3,4,5-tetrahydro-1H-3-benzazepine
4424-20-8

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

1-(1,2,4,5-tetrahydro-benzo[d]azepin-3-yl)-ethanone
10533-22-9

1-(1,2,4,5-tetrahydro-benzo[d]azepin-3-yl)-ethanone

Conditions
ConditionsYield
With acetic anhydride; triethylamine In dichloromethane; water95%
2,3,4,5-tetrahydro-1H-3-benzazepine
4424-20-8

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

acetic anhydride
108-24-7

acetic anhydride

1-(1,2,4,5-tetrahydro-benzo[d]azepin-3-yl)-ethanone
10533-22-9

1-(1,2,4,5-tetrahydro-benzo[d]azepin-3-yl)-ethanone

Conditions
ConditionsYield
With triethylamine In dichloromethane at 0 - 20℃; for 18h;95%
With triethylamine In dichloromethane50%
With triethylamine In dichloromethane at 20℃; for 18h;
2,3,4,5-tetrahydro-1H-3-benzazepine
4424-20-8

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

Conditions
ConditionsYield
With sulfuric acid; nitric acid; trifluoroacetic acid at 0℃; regioselective reaction;90%
With sulfuric acid; nitric acid; trifluoroacetic acid at 0℃; for 2h;63%
Stage #1: 2,3,4,5-tetrahydro-1H-3-benzazepine With sulfuric acid at 0℃; for 0.5h;
Stage #2: With nitric acid In water at 0℃; for 2h;
25%
2,3,4,5-tetrahydro-1H-3-benzazepine
4424-20-8

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

7-nitro-2,3,4,5-tetrahydro-1H-benzo[d]azepine monosulfate
1241840-94-7

7-nitro-2,3,4,5-tetrahydro-1H-benzo[d]azepine monosulfate

Conditions
ConditionsYield
Stage #1: 2,3,4,5-tetrahydro-1H-3-benzazepine With trifluoroacetic acid for 0.5h; Inert atmosphere;
Stage #2: With sulfuric acid for 0.25h;
Stage #3: With nitric acid at 5 - 10℃; for 4h; regioselective reaction;
90%
With sulfuric acid; nitric acid; trifluoroacetic acid at 0 - 10℃;86%
2,3,4,5-tetrahydro-1H-3-benzazepine
4424-20-8

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

ethyl N-[4-chloro-6-(2H-indazol-2-yl)pyrimidin-2-yl]-beta-alaninate

ethyl N-[4-chloro-6-(2H-indazol-2-yl)pyrimidin-2-yl]-beta-alaninate

C26H28N6O2

C26H28N6O2

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In isopropyl alcohol at 160℃; for 1h; Microwave irradiation;89%
In isopropyl alcohol for 2h;83%
2,3,4,5-tetrahydro-1H-3-benzazepine
4424-20-8

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

N-[6-chloro-2-(2-pyridinyl)-4-pyrimidinyl]-β-alanine
1373424-45-3

N-[6-chloro-2-(2-pyridinyl)-4-pyrimidinyl]-β-alanine

(3-((2-pyridin-2-yl)-6-(1,2,4,5-tetrahydro-3H-benzo[d]azepin-3-yl)pyrimidin-4-yl)amino)propanoic acid
1373422-53-7

(3-((2-pyridin-2-yl)-6-(1,2,4,5-tetrahydro-3H-benzo[d]azepin-3-yl)pyrimidin-4-yl)amino)propanoic acid

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In dimethyl sulfoxide at 150℃; for 1h; Microwave irradiation;86%
2,3,4,5-tetrahydro-1H-3-benzazepine
4424-20-8

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

ethyl N-[4-chloro-6-(2H-1,2,3-triazol-2-yl)pyrimidin-2-yl]-beta-alaninate

ethyl N-[4-chloro-6-(2H-1,2,3-triazol-2-yl)pyrimidin-2-yl]-beta-alaninate

ethyl N-[4-(1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl)-6-(2H-1,2,3-triazol-2-yl)pyrimidin-2-yl]-beta-alaninate

ethyl N-[4-(1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl)-6-(2H-1,2,3-triazol-2-yl)pyrimidin-2-yl]-beta-alaninate

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In isopropyl alcohol at 160℃; for 1h; Microwave irradiation;85%
In isopropyl alcohol for 2h;35%
2,3,4,5-tetrahydro-1H-3-benzazepine
4424-20-8

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

ethyl N-[4-chloro-6-(1H-1,2,3-triazol-1-yl)pyrimidin-2-yl]-beta-alaninate

ethyl N-[4-chloro-6-(1H-1,2,3-triazol-1-yl)pyrimidin-2-yl]-beta-alaninate

ethyl N-[4-(1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl)-6-(1H-1,2,3-triazol-1-yl)pyrimidin-2-yl]-beta-alaninate

ethyl N-[4-(1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl)-6-(1H-1,2,3-triazol-1-yl)pyrimidin-2-yl]-beta-alaninate

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In isopropyl alcohol at 160℃; for 1h; Microwave irradiation;85%
In isopropyl alcohol for 2h;75%
2,3,4,5-tetrahydro-1H-3-benzazepine
4424-20-8

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

ethyl N-[4-chloro-6-(1H-pyrazol-1-yl)pyrimidin-2-yl]-beta-alaninate

ethyl N-[4-chloro-6-(1H-pyrazol-1-yl)pyrimidin-2-yl]-beta-alaninate

ethyl N-[4-(1H-pyrazol-1-yl)-6-(1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl)pyrimidin-2-yl]-beta-alaninate

ethyl N-[4-(1H-pyrazol-1-yl)-6-(1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl)pyrimidin-2-yl]-beta-alaninate

Conditions
ConditionsYield
In isopropyl alcohol for 2h;84%
With N-ethyl-N,N-diisopropylamine In isopropyl alcohol at 160℃; for 1h; Microwave irradiation;84%
2,3,4,5-tetrahydro-1H-3-benzazepine
4424-20-8

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

methyl 2-isocyanatobenzoate
1793-07-3

methyl 2-isocyanatobenzoate

methyl 2-(2,3,4,5-tetrahydro-1H-benzo[d]azepine-3-carboxamido)benzoate

methyl 2-(2,3,4,5-tetrahydro-1H-benzo[d]azepine-3-carboxamido)benzoate

Conditions
ConditionsYield
With triethylamine In dichloromethane at 25℃; for 2h; Inert atmosphere;83%
2,3,4,5-tetrahydro-1H-3-benzazepine
4424-20-8

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

2-(chloromethyl)-5-nitro-1H-benzo[d]imidazole
14625-39-9

2-(chloromethyl)-5-nitro-1H-benzo[d]imidazole

3-((5-nitro-1H-benzo[d]imidazol-2-yl)methyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine

3-((5-nitro-1H-benzo[d]imidazol-2-yl)methyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine

Conditions
ConditionsYield
With sodium carbonate In acetonitrile at 23℃;82%
2,3,4,5-tetrahydro-1H-3-benzazepine
4424-20-8

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

acetyl chloride
75-36-5

acetyl chloride

1-(1,2,4,5-tetrahydro-benzo[d]azepin-3-yl)-ethanone
10533-22-9

1-(1,2,4,5-tetrahydro-benzo[d]azepin-3-yl)-ethanone

Conditions
ConditionsYield
With triethylamine In tetrahydrofuran at 20℃; for 1h;80%
2,3,4,5-tetrahydro-1H-3-benzazepine
4424-20-8

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

ethyl N-[4-chloro-6-(1,3-thiazol-2-yl)pyrimidin-2-yl]-beta-alaninate

ethyl N-[4-chloro-6-(1,3-thiazol-2-yl)pyrimidin-2-yl]-beta-alaninate

ethyl N-[4-(1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl)-6-(1,3-thiazol-2-yl)pyrimidin-2-yl]-beta-alaninate

ethyl N-[4-(1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl)-6-(1,3-thiazol-2-yl)pyrimidin-2-yl]-beta-alaninate

Conditions
ConditionsYield
In isopropyl alcohol for 2h;80%
With N-ethyl-N,N-diisopropylamine In isopropyl alcohol at 160℃; for 1h; Microwave irradiation;80%
2,3,4,5-tetrahydro-1H-3-benzazepine
4424-20-8

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

C12H10ClN5

C12H10ClN5

C22H22N6

C22H22N6

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In isopropyl alcohol at 160℃; for 1h; Microwave irradiation;80%
2,3,4,5-tetrahydro-1H-3-benzazepine
4424-20-8

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

C9H11N3O2

C9H11N3O2

Conditions
ConditionsYield
With sulfuric acid; potassium nitrate at 5℃; for 0.166667h;71%
2,3,4,5-tetrahydro-1H-3-benzazepine
4424-20-8

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

Methyl 4-(bromomethyl)benzoate
2417-72-3

Methyl 4-(bromomethyl)benzoate

methyl 4-((1,2,4,5-tetrahydro-3H-benzo[d]azepin-3-yl)methyl)benzoate

methyl 4-((1,2,4,5-tetrahydro-3H-benzo[d]azepin-3-yl)methyl)benzoate

Conditions
ConditionsYield
With potassium carbonate In acetonitrile at 85℃; for 4h;71%
2,3,4,5-tetrahydro-1H-3-benzazepine
4424-20-8

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

7-nitro-2,3,4,5-tetrahydro-1H-benzo[d]azepine nitrate salt
118454-13-0

7-nitro-2,3,4,5-tetrahydro-1H-benzo[d]azepine nitrate salt

Conditions
ConditionsYield
With nitric acid at -10℃; for 0.5h; Cooling with acetone-dry ice;70%
2,3,4,5-tetrahydro-1H-3-benzazepine
4424-20-8

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

C20H25N3O4S2
82771-52-6

C20H25N3O4S2

Conditions
ConditionsYield
With bis(chlorosulfonyl)amine; triethylamine In dichloromethane; acetonitrile at 25℃; for 12h;67%
2,3,4,5-tetrahydro-1H-3-benzazepine
4424-20-8

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

benzaldehyde
100-52-7

benzaldehyde

β-naphthol
135-19-3

β-naphthol

1-[(4,5-dihydro-1H-benzo[d]azepin-3(2H)-yl)phenylmethyl]naphthalen-2-ol

1-[(4,5-dihydro-1H-benzo[d]azepin-3(2H)-yl)phenylmethyl]naphthalen-2-ol

Conditions
ConditionsYield
In neat (no solvent) at 60℃; for 2h; Mannich Aminomethylation; Autoclave; Microwave irradiation;67%
2,3,4,5-tetrahydro-1H-3-benzazepine
4424-20-8

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

1,1-dimethylethyl[trans-4-(2-oxoethyl)cyclohexyl]carbamate
215790-29-7

1,1-dimethylethyl[trans-4-(2-oxoethyl)cyclohexyl]carbamate

trans-3-(2-(1-(4-(N-tert-butoxycarbonyl)amino)cyclohexyl)ethyl)-2,3,4,5-tetrahydro-1H-3-benzazepine

trans-3-(2-(1-(4-(N-tert-butoxycarbonyl)amino)cyclohexyl)ethyl)-2,3,4,5-tetrahydro-1H-3-benzazepine

Conditions
ConditionsYield
Stage #1: 2,3,4,5-tetrahydro-1H-3-benzazepine; 1,1-dimethylethyl[trans-4-(2-oxoethyl)cyclohexyl]carbamate With sodium tris(acetoxy)borohydride In 1,2-dichloro-ethane at 20℃; for 0.5h;
Stage #2: With water; potassium carbonate In dichloromethane; 1,2-dichloro-ethane
62%
2,3,4,5-tetrahydro-1H-3-benzazepine
4424-20-8

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

ethyl N-(2-{4-[2-(1,3-dioxolan-2-yl)ethyl]-2-pyridinyl}-6-{[(4-methylphenyl)sulfonyl]oxy}-4-pyrimidinyl)-β-alaninate
1373424-24-8

ethyl N-(2-{4-[2-(1,3-dioxolan-2-yl)ethyl]-2-pyridinyl}-6-{[(4-methylphenyl)sulfonyl]oxy}-4-pyrimidinyl)-β-alaninate

ethyl N-[2-{4-[2-(1,3-dioxolan-2-yl)ethyl]-2-pyridinyl}-6-(1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl)-4-pyrimidinyl]-β-alaninate
1373424-25-9

ethyl N-[2-{4-[2-(1,3-dioxolan-2-yl)ethyl]-2-pyridinyl}-6-(1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl)-4-pyrimidinyl]-β-alaninate

Conditions
ConditionsYield
In isopropyl alcohol at 150℃; for 1h; Microwave irradiation;60%
2,3,4,5-tetrahydro-1H-3-benzazepine
4424-20-8

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

4-chloro-1-(4-chlorophenyl)butan-1-one
40877-09-6

4-chloro-1-(4-chlorophenyl)butan-1-one

1-(4-chlorophenyl)-4-(4,5-dihydro-1H-benzo[d]azepin-3(2H)-yl)butan-1-one hydrochloride

1-(4-chlorophenyl)-4-(4,5-dihydro-1H-benzo[d]azepin-3(2H)-yl)butan-1-one hydrochloride

Conditions
ConditionsYield
Stage #1: 2,3,4,5-tetrahydro-1H-3-benzazepine; 4-chloro-1-(4-chlorophenyl)butan-1-one With potassium carbonate; potassium iodide In 1,2-dimethoxyethane at 120℃; for 1h; Sealed tube; Microwave irradiation;
Stage #2: With hydrogenchloride In diethyl ether Solvent;
59%
2,3,4,5-tetrahydro-1H-3-benzazepine
4424-20-8

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

α-naphthol
90-15-3

α-naphthol

benzaldehyde
100-52-7

benzaldehyde

2-[(4,5-dihydro-1H-benzo[d]azepin-3(2H)-yl)-phenyl-methyl]-naphthalen-1-ol

2-[(4,5-dihydro-1H-benzo[d]azepin-3(2H)-yl)-phenyl-methyl]-naphthalen-1-ol

Conditions
ConditionsYield
In neat (no solvent) at 55℃; for 1.5h; Mannich Aminomethylation; Autoclave; Microwave irradiation;55%
2,3,4,5-tetrahydro-1H-3-benzazepine
4424-20-8

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

2-(3-{5-chloro-2-[(oxan-4-yl)amino]pyrimidin-4-yl}-5-oxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl)acetic acid

2-(3-{5-chloro-2-[(oxan-4-yl)amino]pyrimidin-4-yl}-5-oxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl)acetic acid

3-{5-chloro-2-[(oxan-4-yl)amino]pyrimidin-4-yl}-6-[2-oxo-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-3-yl)ethyl]-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one

3-{5-chloro-2-[(oxan-4-yl)amino]pyrimidin-4-yl}-6-[2-oxo-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-3-yl)ethyl]-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one

Conditions
ConditionsYield
With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; triethylamine In ethyl acetate; N,N-dimethyl-formamide for 1h;51.9%

1H-3-Benzazepine,2,3,4,5-tetrahydro- Specification

The 1H-3-Benzazepine, 2, 3, 4, 5-tetrahydro-, with the CAS registry number of 4424-20-8, is also known as 2, 3, 4, 5-Tetrahydro-1H-benzo[d]azepine. This chemical's molecular formula is C10H13N and molecular weight is 147.22. What's more, its IUPAC name is 2, 3, 4, 5-Tetrahydro-1H-3-benzazepine.

Physical properties about 1H-3-Benzazepine, 2, 3, 4, 5-tetrahydro- are: (1)ACD/LogP: 1.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.29; (4)ACD/LogD (pH 7.4): -0.87; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 46.38 cm3; (15)Molar Volume: 150 cm3; (16)Surface Tension: 35.5 dyne/cm; (17)Density: 0.981 g/cm3; (18)Flash Point: 114.9 °C; (19)Enthalpy of Vaporization: 49.64 kJ/mol; (20)Boiling Point: 258.8 °C at 760 mmHg; (21)Vapour Pressure: 0.0135 mmHg at 25 °C.

Preparation: this chemical is prepared by 3, 4-Dihydro-2H-naphthalen-1-one oxime. The reaction needs reagent Diisobutyl aluminium hydride and solvent CH2Cl2. The reaction time is 1 hours with reaction temperature of 0 °C. The yield is about 92 %.

Uses: it is used to produce other chemicals. For example, it is used to produce 1-Methyl-2, 3, 4, 5-tetrahydro-1H-benzo[b]azepine. This reaction needs reagent n-Butyllithium. Meanwhile, it needs solvents Tetrahydrofuran and Hexane. Other conditions of this reaction are 1.)THF, Hexane, 0 °C; 2.)12 h, r.t..The yield is about 60 %.

You can still convert the following datas into molecular structure:
(1) SMILES: c1cc2c(cc1)CCNCC2
(2) InChI: InChI=1/C10H13N/c1-2-4-10-6-8-11-7-5-9(10)3-1/h1-4,11H,5-8H2
(3) InChIKey: MWVMYAWMFTVYED-UHFFFAOYAW

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View