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6-Aminomethyl-6,11-dihydro-5H-dibenz[b,e]azepine (E)-2-butenedioate
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Name

6-Aminomethyl-6,11-dihydro-5H-dibenz[b,e]azepine (E)-2-butenedioate

 EINECS 685-627-3
CAS No. 127785-96-0 Density N/A
PSA 112.65000 LogP 3.25280
Solubility N/A Melting Point 194-195 °C (decomp)
Formula C15H16N2.C4H4O4 Boiling Point 616.9 °C at 760 mmHg
Molecular Weight 340.379 Flash Point Flash Point: 326.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 127785-96-0 (6-Aminomethyl-6,11-dihydro-5H-dibenz[b,e]azepine (E)-2-butenedioate) Hazard Symbols N/A
Synonyms

5H-dibenz[b,e]azepine-6-methanamine, 6,11-dihydro-, (2E)-2-butenedioate (1:1);Epinastine Intermediate;1-(6,11-Dihydro-5H-dibenzo[b,e]azepin-6-yl)methanamine (2E)-but-2-enedioate (1:1);6-Amiomethyl-6,11-dihydro-5H-dibenz[b,e]azepin(E)-2-butanedioate(1:1);

Article Data 3

6-Aminomethyl-6,11-dihydro-5H-dibenz[b,e]azepine (E)-2-butenedioate Synthetic route

74860-00-7

N-<(11H-dibenzazepin-6-yl)methyl>phthalimide

110-17-8

(2E)-but-2-enedioic acid

127785-96-0

6,11-dihydro-5H-dibenzazepine-6-methanamine fumarate

Conditions
ConditionsYield
Stage #1: N-<(11H-dibenzazepin-6-yl)methyl>phthalimide With sodium tetrahydroborate In methanol; water; isopropyl alcohol; toluene at 20 - 30℃; for 24.5h;
Stage #2: With hydrogenchloride In water; isopropyl alcohol at 20 - 80℃; for 1.5h;
Stage #3: (2E)-but-2-enedioic acid With sodium hydroxide Product distribution / selectivity; more than 3 stages;		76.1%
Stage #1: N-<(11H-dibenzazepin-6-yl)methyl>phthalimide With sodium tetrahydroborate In methanol; water; isopropyl alcohol; toluene at 20 - 30℃; for 24.5h;
Stage #2: With methanol; sodium hydroxide In water; isopropyl alcohol at 20 - 80℃; for 1.5h;
Stage #3: (2E)-but-2-enedioic acid In methanol at 0 - 20℃; for 3h; Product distribution / selectivity;		72.4%
Stage #1: N-<(11H-dibenzazepin-6-yl)methyl>phthalimide With sodium tetrahydroborate In water; isopropyl alcohol at 20 - 30℃; for 24.5h;
Stage #2: With acetic acid In water; isopropyl alcohol at 20 - 80℃; for 1.5h;
Stage #3: (2E)-but-2-enedioic acid With sodium hydroxide Product distribution / selectivity; more than 3 stages;		69%
41218-84-2

6-aminomethyl-6,11-dihydro-5H-dibenzo[b,e]azepine

110-17-8

(2E)-but-2-enedioic acid

127785-96-0

6,11-dihydro-5H-dibenzazepine-6-methanamine fumarate

Conditions
ConditionsYield
In methanol at 20℃; for 1h;76%
In methanol at 35 - 40℃; for 1.5 - 1.66667h;
21535-43-3

N-[2-(phenylmethyl)phenyl]-2-chloroacetamide

127785-96-0

6,11-dihydro-5H-dibenzazepine-6-methanamine fumarate

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1.1: trichlorophosphate / toluene / 6 h / 65 - 90 °C
2.1: potassium hydroxide / N,N-dimethyl-formamide / 55 °C
2.2: 15 h / 45 °C
3.1: formic acid; hydrogen; 5%-palladium/activated carbon / N,N-dimethyl-formamide / 24 h / 70 °C / 7500.75 Torr
4.1: hydrogenchloride / glycerol; water / 2.5 h / 20 - 110 °C
5.1: methanol / 1 h / 20 °C
View Scheme
21535-44-4

6-(chloromethyl)-11H-dibenzazepine

127785-96-0

6,11-dihydro-5H-dibenzazepine-6-methanamine fumarate

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: potassium hydroxide / N,N-dimethyl-formamide / 55 °C
1.2: 15 h / 45 °C
2.1: formic acid; hydrogen; 5%-palladium/activated carbon / N,N-dimethyl-formamide / 24 h / 70 °C / 7500.75 Torr
3.1: hydrogenchloride / glycerol; water / 2.5 h / 20 - 110 °C
4.1: methanol / 1 h / 20 °C
View Scheme

6-cyclopropylaminomethyl-5H-dibenz(b,e)azepine

127785-96-0

6,11-dihydro-5H-dibenzazepine-6-methanamine fumarate

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: formic acid; hydrogen; 5%-palladium/activated carbon / N,N-dimethyl-formamide / 24 h / 70 °C / 7500.75 Torr
2: hydrogenchloride / glycerol; water / 2.5 h / 20 - 110 °C
3: methanol / 1 h / 20 °C
View Scheme

6-cyclopropylaminomethyl-6,11-dihydro-5H-dibenz(b,e)azepine

127785-96-0

6,11-dihydro-5H-dibenzazepine-6-methanamine fumarate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: hydrogenchloride / glycerol; water / 2.5 h / 20 - 110 °C
2: methanol / 1 h / 20 °C
View Scheme
127785-96-0

6,11-dihydro-5H-dibenzazepine-6-methanamine fumarate

40943-37-1

O-methyl-N-(methoxycarbonyl)-isourea

{imino[N-(5H-dibenz[b,e]azepin-6-yl)methylamino]methyl}carbamate

Conditions
ConditionsYield
In dimethyl sulfoxide at 40℃; for 22h; Solvent;94%
127785-96-0

6,11-dihydro-5H-dibenzazepine-6-methanamine fumarate

80012-43-7

epinastine

Conditions
ConditionsYield
With sodium hydroxide In water at 25 - 30℃; for 0.5h;

N-(iminomethoxymethyl)allylcarbamate

127785-96-0

6,11-dihydro-5H-dibenzazepine-6-methanamine fumarate

{imino[N-(5H-dibenz[b,e]azepin-6-yl)methylamino]allyl}carbamate

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 50℃; for 21h;
127785-96-0

6,11-dihydro-5H-dibenzazepine-6-methanamine fumarate

3-amino-9,13b-dihydro-1H-dibenzo[c,f]imidazo[1,5-a]azepine hydrochloride

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: dimethyl sulfoxide / 22 h / 40 °C
2: acetic acid / toluene / 23 h / 90 °C
View Scheme

6-Aminomethyl-6,11-dihydro-5H-dibenz[b,e]azepine (E)-2-butenedioate Specification

The 6-Aminomethyl-6,11-dihydro-5H-dibenz[b,e]azepine (E)-2-butenedioate with the cas number 127785-96-0 is also called 6-Amiomethyl-6,11-dihydro-5H-dibenz[b,e]azepin(E)-2-butanedioate(1:1). The product type of the 6-Aminomethyl-6,11-dihydro-5H-dibenz[b,e]azepine (E)-2-butenedioate is intermediates.

The properties of the 6-Aminomethyl-6,11-dihydro-5H-dibenz[b,e]azepine (E)-2-butenedioate are: (1)#H bond acceptors: 6; (2)#H bond donors: 5; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 69.67Å2; (5)Flash Point: 326.9 °C; (6)Enthalpy of Vaporization: 96.18 kJ/mol; (7)Boiling Point: 616.9 °C at 760 mmHg; (8)Vapour Pressure: 4.48×10-16 mmHg at 25°C.

The 6-Aminomethyl-6,11-dihydro-5H-dibenz[b,e]azepine (E)-2-butenedioate can be supplied by the following suppliers: (1)Chongqing Succeway Pharmaceutical Co., Ltd. ; (2)Link Chemicals Co.,Ltd.; (3)Hangzhou Sunny Chemical Co., Ltd.; (4)Nanjing Chemlin Chemical Co., Ltd. ; (5)Yick-Vic Chemicals & Pharmaceuticals (HK) Ltd.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-]C(=O)\C=C\C(=O)O.c1cc3c(cc1)Cc2c(cccc2)C(N3)C[NH3+]
(2)InChI: InChI=1/C15H16N2.C4H4O4/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)17-15;5-3(6)1-2-4(7)8/h1-8,15,17H,9-10,16H2;1-2H,(H,5,6)(H,7,8)/b;2-1+

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