7,8-Dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one supplier

Name
1,3-Dihydro-7,8-dimethoxy-2H-3-benzazepin-2-one
EINECS 1806241-263-5
CAS No. 73942-87-7
Article Data18
CAS DataBase
Density 1.167 g/cm³
Solubility
Melting Point 244.0 to 248.0 °C
Formula C₁₂H₁₃NO₃
Boiling Point 455.8 °C at 760 mmHg
Molecular Weight 219.24
Flash Point 229.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 7,8-Dimethoxy-1,3-dihydro-2H-benzazepin-2-one;2H-3-benzazepin-2-one, 1,3-dihydro-7,8-dimethoxy-;7,8-Dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one;7,8-Dimethoxy-1,3-dihydro-2H-benzazepin-2-one;
PSA 47.56000
LogP 1.67560

Synthetic route

: 7,8-dimethoxy-3-(4-methoxybenzyl)-1,3-dihydro-2H-3-benzazepin-2-one

: 73942-87-7
7,8-Dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one

Conditions

Conditions	Yield
With trifluoroacetic acid for 8h; Reflux;	97%

: 73954-34-4
N-(2,2-dimethoxy-ethyl)-3,4-dimethoxyphenylacetamide

: 73942-87-7
7,8-Dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one

Conditions

Conditions	Yield
With hydrogenchloride; acetic acid In water at 25℃; for 17h;	77.5%
With hydrogenchloride; acetic acid for 17h; Ambient temperature;	75%
With hydrogenchloride; acetic acid In water at 20℃; for 8h;	61.4%

: 93-40-3
(3,4-Dimethoxyphenyl)acetic acid

: 73942-87-7
7,8-Dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 81 percent / thionyl chloride / CH2Cl2 / 1 h / Heating 2: triethylamine / CH2Cl2 / 1 h / Ambient temperature 3: 75 percent / glacial acetic acid, conc. HCl / 17 h / Ambient temperature View Scheme
Multi-step reaction with 2 steps 1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol 2: hydrogenchloride; acetic acid / water View Scheme
Multi-step reaction with 2 steps 1: toluene / 30 h / Reflux 2: hydrogenchloride; sulfuric acid / water / 4 h / 25 - 30 °C / Reflux View Scheme
Multi-step reaction with 3 steps 1: thionyl chloride / dichloromethane 2: triethylamine / dichloromethane 3: hydrogenchloride; acetic acid View Scheme
Multi-step reaction with 2 steps 1: O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; triethylamine / N,N-dimethyl-formamide / 20 °C / Inert atmosphere 2: phosphorus pentaoxide / methanesulfonic acid / 20 °C / Inert atmosphere View Scheme

: 10313-60-7
3,4-dimethoxyphenylacetyl chloride

: 73942-87-7
7,8-Dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: triethylamine / CH2Cl2 / 1 h / Ambient temperature 2: 75 percent / glacial acetic acid, conc. HCl / 17 h / Ambient temperature View Scheme
Multi-step reaction with 2 steps 1: triethylamine / dichloromethane 2: hydrogenchloride; acetic acid View Scheme

: 7,8-dimethoxy-3-(4-methoxybenzyl)-1H-3-benzazepine-2,4(3H,5H)-dione

: 73942-87-7
7,8-Dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: lithium triethylborohydride / tetrahydrofuran / 1.5 h / -78 °C 1.2: -78 - 20 °C 2.1: trifluoroacetic acid / 8 h / Reflux View Scheme

: 85175-49-1
7,8-dimethoxy-1,3,4,5-tetrahydro-2H-3-benzazepine-2,4-dione

: 73942-87-7
7,8-Dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: potassium carbonate; potassium iodide / acetonitrile / 27.5 h / 80 °C 2.1: lithium triethylborohydride / tetrahydrofuran / 1.5 h / -78 °C 2.2: -78 - 20 °C 3.1: trifluoroacetic acid / 8 h / Reflux View Scheme

: 73942-87-7
7,8-Dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one

: 293732-19-1
(4,5-dimethoxy-2-iodophenyl)methyl bromide

: 1104967-37-4
3-(2-iodo-4,5-dimethoxybenzyl)-7,8-dimethoxy-1,3-dihydrobenzo[d]azepin-2-one

Conditions

Conditions	Yield
Stage #1: 7,8-Dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one With potassium tert-butylate In N,N-dimethyl-formamide at 0℃; for 0.5h; Stage #2: (4,5-dimethoxy-2-iodophenyl)methyl bromide In N,N-dimethyl-formamide at 20℃; for 2h;	98%

: 6974-77-2
1-bromo-3-chloro-2-methyl propane

: 73942-87-7
7,8-Dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one

: 85176-88-1
1-(7,8-dimethoxy-1,3-dihydro-2H-3-benzazepin-2-on-3-yl)-2-methyl-3-chloro-propane

Conditions

Conditions	Yield
	97.5%
With potassium tert-butylate 1.) DMSO, RT, 30 min, 2.) RT, 30 min; Multistep reaction;

: 73942-87-7
7,8-Dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one

: 106-89-8
epichlorohydrin

: 85176-49-4
1-(7,8-dimethoxy-1,3-dihydro-2H-3-benzazepin-2-on-3-yl)-2,3-epoxy-propane

Conditions

Conditions	Yield
	94.5%

: 73942-87-7
7,8-Dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one

: 109-70-6
1,3-chlorobromopropane

: 85175-59-3
3-(3-chloropropyl)-1,3-dihydro-7,8-dimethoxy-2H-3-benzazepine-2-one

Conditions

Conditions	Yield
Stage #1: 7,8-Dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one With potassium tert-butylate In dimethyl sulfoxide at 25 - 30℃; for 0.5h; Stage #2: 1.3-chlorobromopropane In dimethyl sulfoxide at 15 - 20℃; for 0.5h; Reagent/catalyst; Time; Temperature; Concentration;	89%
	87.3%
Stage #1: 7,8-Dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one With sodium hydride In N,N-dimethyl-formamide for 0.5h; Stage #2: 1.3-chlorobromopropane In N,N-dimethyl-formamide at 20℃; for 10.5h;	66.5%

: 18742-02-4
2-bromo-2-(2-ethyl)dioxolane

: 73942-87-7
7,8-Dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one

: 3-(2-[1,3]-dioxolan-2-yl-ethyl)-7,8-dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one

Conditions

Conditions	Yield
With sodium hydroxide In 1-methyl-pyrrolidin-2-one; water at 2 - 60℃; for 3h; Product distribution / selectivity;	87%
With potassium carbonate In 1-methyl-pyrrolidin-2-one at 130℃; for 9h; Product distribution / selectivity;	80%

: 1031767-71-1
(S)-3-chloro-N-((3,4-dimethoxybicyclo[4.2,0]octa-1(6),2,4-trien-7-yl)methyl)-N-methylpropan-1-amine

: 73942-87-7
7,8-Dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one

: 1086026-31-4
3-{3-[{[(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl}-(methyl)amino]propyl}-7,8-dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one

Conditions

Conditions	Yield
Stage #1: 7,8-Dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one With potassium tert-butylate In dimethyl sulfoxide at 20℃; for 0.5h; Stage #2: (S)-3-chloro-N-((3,4-dimethoxybicyclo[4.2,0]octa-1(6),2,4-trien-7-yl)methyl)-N-methylpropan-1-amine In dimethyl sulfoxide at 20℃;	87%

: 73942-87-7
7,8-Dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one

: 7306-46-9
4-chloromethyl-1,2-dimethoxy-benzene

: 1104967-46-5
3-(3,4-dimethoxybenzyl)-7,8-dimethoxy-1,3-dihydrobenzo[d]azepin-2-one

Conditions

Conditions	Yield
Stage #1: 7,8-Dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one With potassium tert-butylate In N,N-dimethyl-formamide at 0℃; for 0.5h; Stage #2: 4-chloromethyl-1,2-dimethoxy-benzene In N,N-dimethyl-formamide at 20℃; for 2h;	86%

: 64728-23-0
2-(3,4-dimethoxyphenyl)-1-iodoethane

: 73942-87-7
7,8-Dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one

: 1104967-34-1
3-[2-(3,4-dimethoxyphenyl)ethyl]-7,8-dimethoxy-1,3-dihydrobenzo[d]azepin-2-one

Conditions

Conditions	Yield
Stage #1: 7,8-Dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one With potassium tert-butylate In N,N-dimethyl-formamide at 0℃; for 0.5h; Stage #2: 2-(3,4-dimethoxyphenyl)-1-iodoethane In N,N-dimethyl-formamide at 20℃; for 2h;	77%
With potassium tert-butylate In N,N-dimethyl-formamide

: 73942-87-7
7,8-Dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one

: 114326-14-6
N-(tert-butoxycarbonyl)-N-methyl-3-chloropropylamine

: 1232191-37-5
tert-Butyl [3-(7,8-dimethoxy-2-oxo-1,2-dihydro-3H-3-benzazepin-3-yl)propyl]-methylcarbamate

Conditions

Conditions	Yield
Stage #1: 7,8-Dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one With sodium hydride In N,N-dimethyl-formamide; mineral oil at 25℃; for 1h; Stage #2: N-(tert-butoxycarbonyl)-N-methyl-3-chloropropylamine In minreal oil; N,N-dimethyl-formamide at 50℃;	77%
Stage #1: 7,8-Dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one With sodium hydride In N,N-dimethyl-formamide; oil at 25℃; for 1h; Stage #2: N-(tert-butoxycarbonyl)-N-methyl-3-chloropropylamine In N,N-dimethyl-formamide; oil at 50℃;	77%

: 73942-87-7
7,8-Dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one

: C16H21NO6S

: C27H30N2O6

Conditions

Conditions	Yield
In toluene at 110 - 130℃; for 6h; Solvent; Temperature;	63.5%

: 119919-47-0
3-chloromethyl-N-[2-(6-methyl-pyrid-2-yl)-ethyl]-pyrrolidine

: 865-47-4
potassium tert-butylate

: 73942-87-7
7,8-Dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one

: 3-[(N-(2-(6-Methyl-pyrid-2-yl)-ethyl)-pyrrolidin-3-yl)methyl]-7,8-dimethoxy-2-oxo-1,3-dihydro-2H-3-benzazepinedihydrochloride

Conditions

Conditions	Yield
In dimethyl sulfoxide	61%

...Expand

: 110-57-6
trans-1,4-dichlorobut-2-ene

: 73942-87-7
7,8-Dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one

: trans-3-(4-chloro-2-butenyl)-7,8-dimethoxy-1,3-dihydro-2H-benzo[d]azepin-2-one

Conditions

Conditions	Yield
With potassium tert-butylate In dimethyl sulfoxide at 20℃; for 1h;	48%
With potassium tert-butylate In dimethyl sulfoxide at 20℃; Inert atmosphere;

: 1476-11-5
Z-1,4-dichlorobutene

: 73942-87-7
7,8-Dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one

A: 1245568-10-8
3-((Z)-4-chlorobut-2-en-1-yl)-7,8-dimethoxy-1H-benzo[d]azepin-2(3H)-one

B: 1245568-12-0
3,3'-((Z)-but-2-ene-1,4-diyl)bis(7,8-dimethoxy-1H-benzo[d]azepin-2(3H)-one)

Conditions

Conditions	Yield
With potassium tert-butylate In dimethyl sulfoxide at 20℃; Inert atmosphere;	A 30% B 6%

...Expand

: 73942-87-7
7,8-Dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one

: 107-04-0
1-Bromo-2-chloroethane

: 85176-62-1
1-(7,8-dimethoxy-1,3-dihydro-2H-3-benzazepin-2-on-3-yl)-2-chloro-ethane

Conditions

Conditions	Yield
	20%

: 4540-44-7
1-bromo-3-chloro-propan-2-ol

: 73942-87-7
7,8-Dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one

: 3-(3-Chloro-2-hydroxy-propyl)-7,8-dimethoxy-1,3-dihydro-benzo[d]azepin-2-one

Conditions

Conditions	Yield
With potassium tert-butylate 1.) DMSO, RT, 30 min, 2.) RT, 30 min; Multistep reaction;

: 6940-78-9
4-chlorobutyl bromide

: 73942-87-7
7,8-Dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one

: 85176-24-5
3-(4-Chloro-butyl)-7,8-dimethoxy-1,3-dihydro-benzo[d]azepin-2-one

Conditions

Conditions	Yield
With potassium tert-butylate 1.) DMSO, RT, 30 min, 2.) RT, 30 min; Multistep reaction;

: 73942-87-7
7,8-Dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one

: 3-((E)-4-{[2-(3,4-dimethoxyphenyl)ethyl]methylamino}but-2-enyl)-7,8-dimethoxy-1,3-dihydro-benzo[d]azepin-2-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 48 percent / t-BuOK / dimethylsulfoxide / 1 h / 20 °C 2: 53 percent / Et3N / 5 h / 60 °C View Scheme

: 73942-87-7
7,8-Dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one

: 85176-62-1
1-(7,8-dimethoxy-1,3-dihydro-2H-3-benzazepin-2-on-3-yl)-2-chloro-ethane

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 1.) potassium tert-butoxide / 1.) DMSO, RT, 30 min, 2.) RT, 30 min 2: 1.) potassium tert-butoxide / 1.) DMSO, RT, 30 min, 2.) RT, 30 min View Scheme

: 73942-87-7
7,8-Dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one

: 7,8-Dimethoxy-3-[3-(methyl-phenethyl-amino)-propyl]-1,3-dihydro-benzo[d]azepin-2-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 1.) potassium tert-butoxide / 1.) DMSO, RT, 30 min, 2.) RT, 30 min 2: 2 h / 90 - 95 °C View Scheme

: 73942-87-7
7,8-Dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one

: 92452-47-6
7,8-Dimethoxy-3-[3-(methyl-phenethyl-amino)-propyl]-1,3,4,5-tetrahydro-benzo[d]azepin-2-one

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 1.) potassium tert-butoxide / 1.) DMSO, RT, 30 min, 2.) RT, 30 min 2: 2 h / 90 - 95 °C 3: H2 / Pd/C / acetic acid / 10 h / 3750.3 Torr / Ambient temperature View Scheme

: 73942-87-7
7,8-Dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one

: 3-(3-{[2-(4-Chloro-phenyl)-ethyl]-methyl-amino}-propyl)-7,8-dimethoxy-1,3-dihydro-benzo[d]azepin-2-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 1.) potassium tert-butoxide / 1.) DMSO, RT, 30 min, 2.) RT, 30 min 2: 2 h / 90 - 95 °C View Scheme

: 73942-87-7
7,8-Dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one

: 3-(3-{[2-(4-Hydroxy-phenyl)-ethyl]-methyl-amino}-propyl)-7,8-dimethoxy-1,3-dihydro-benzo[d]azepin-2-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 1.) potassium tert-butoxide / 1.) DMSO, RT, 30 min, 2.) RT, 30 min 2: 2 h / 90 - 95 °C View Scheme

: 73942-87-7
7,8-Dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one

: 85176-42-7
3-(3-{[2-(4-Amino-phenyl)-ethyl]-methyl-amino}-propyl)-7,8-dimethoxy-1,3-dihydro-benzo[d]azepin-2-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 1.) potassium tert-butoxide / 1.) DMSO, RT, 30 min, 2.) RT, 30 min 2: 2 h / 90 - 95 °C View Scheme

: 73942-87-7
7,8-Dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one

: 85175-70-8
7,8-Dimethoxy-3-(3-{[2-(4-methoxy-phenyl)-ethyl]-methyl-amino}-propyl)-1,3-dihydro-benzo[d]azepin-2-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 1.) potassium tert-butoxide / 1.) DMSO, RT, 30 min, 2.) RT, 30 min 2: 2 h / 90 - 95 °C View Scheme

: 73942-87-7
7,8-Dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one

: 85175-81-1
1-[7,8-dimethoxy-1,3,4,5-tetrahydro-2H-3-benzazepin-2-on-3-yl]-3-[N-methyl-N-(2-{4-amino-phenyl}-ethyl)-amino]-propane

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 1.) potassium tert-butoxide / 1.) DMSO, RT, 30 min, 2.) RT, 30 min 2: 2 h / 90 - 95 °C 3: H2 / Pd/C / acetic acid / 10 h / 3750.3 Torr / Ambient temperature View Scheme

: 73942-87-7
7,8-Dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one

: 3-(3-{[2-(4-Dimethylamino-phenyl)-ethyl]-methyl-amino}-propyl)-7,8-dimethoxy-1,3-dihydro-benzo[d]azepin-2-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 1.) potassium tert-butoxide / 1.) DMSO, RT, 30 min, 2.) RT, 30 min 2: 2 h / 90 - 95 °C View Scheme

: 73942-87-7
7,8-Dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one

: 3-(3-{[2-(3,4-Dichloro-phenyl)-ethyl]-methyl-amino}-propyl)-7,8-dimethoxy-1,3-dihydro-benzo[d]azepin-2-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 1.) potassium tert-butoxide / 1.) DMSO, RT, 30 min, 2.) RT, 30 min 2: 2 h / 90 - 95 °C View Scheme

7,8-Dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one Chemical Properties

Molecular Structure of 2H-3-Benzazepin-2-one,1,3-dihydro-7,8-dimethoxy- (CAS NO.73942-87-7):

Empirical Formula: C₁₂H₁₃NO₃
Molecular Weight: 219.2365
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 2
Polar Surface Area: 38.77 Å²
Index of Refraction: 1.546
Molar Refractivity: 59.47 cm³
Molar Volume: 187.8 cm³
Surface Tension: 39.4 dyne/cm
Density: 1.167 g/cm³
Flash Point: 229.5 °C
Enthalpy of Vaporization: 71.56 kJ/mol
Boiling Point: 455.8 °C at 760 mmHg
Vapour Pressure: 1.7E-08 mmHg at 25°C

7,8-Dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one Specification

2H-3-Benzazepin-2-one,1,3-dihydro-7,8-dimethoxy- , with CAS number of 73942-87-7, can be called 1,3-Dihydro-7,8-dimethoxy-2H-3-benzazepin-2-one ; 7,8-dimethoxy-1, 3-dihydro-2H-benzo[d] azepin-2-one ; 7,8-Dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one .

Product Name

1,3-Dihydro-7,8-dimethoxy-2H-3-benzazepin-2-one

Synthetic route

7,8-Dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one Chemical Properties

7,8-Dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one Specification

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