CAS No.73942-87-7,1,3-Dihydro-7,8-dimethoxy-2H-3-benzazepin-2-one Suppliers

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Basic Information

Molecular Structure:
CAS No.:	73942-87-7
Name:	1,3-Dihydro-7,8-dimethoxy-2H-3-benzazepin-2-one
Article Data:	18

Formula:	C₁₂H₁₃NO₃
Molecular Weight:	219.24
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;
EINECS:	1806241-263-5
Density:	1.167 g/cm³
Melting Point:	244.0 to 248.0 °C
Boiling Point:	455.8 °C at 760 mmHg
Flash Point:	229.5 °C
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%

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Chemistry

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

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 .