(6,11-Dihydro-5H-dibenzo[b,e]azepin-6-yl)methanamine fumarate

Base Information

• Chemical Name: (6,11-Dihydro-5H-dibenzo[b,e]azepin-6-yl)methanamine fumarate
• CAS No.: 127785-96-0
• Molecular Formula: C15H16N2^.C4H4O4
• Molecular Weight: 340.379
• Hs Code.: 2933992600
• European Community (EC) Number: 685-627-3
• Mol file: 127785-96-0.mol

Synonyms:127785-96-0;(6,11-Dihydro-5H-dibenzo[b,e]azepin-6-yl)methanamine fumarate;6-Aminomethyl-6,11-dihydro-5H-dibenz[b,e]azepine (E)-2-butenedioate;80012-79-9;(E)-but-2-enedioic acid;6,11-dihydro-5H-benzo[c][1]benzazepin-6-ylmethanamine;5H-Dibenz[b,e]azepine-6-methanamine, 6,11-dihydro-, (2E)-2-butenedioate (1:1);MFCD11865145;SCHEMBL5367297;SCHEMBL11256018;(6,11-Dihydro-5H-dibenzo[b,e]azepin-6-yl)methanaminefumarate;BCP13637;AKOS015900707;BS-14927;CS-0155926;A857230;6,11-dihydro-5H-benzo[c][1]benzazepin-6-ylmethylazanium;(E)-4-hydroxy-4-oxobut-2-enoate

Chemical Property of (6,11-Dihydro-5H-dibenzo[b,e]azepin-6-yl)methanamine fumarate

Chemical Property:

• Vapor Pressure: 4.48E-16mmHg at 25°C
• Melting Point: 194-195 °C (decomp)
• Boiling Point: 616.9 °C at 760 mmHg
• Flash Point: Flash Point: 326.9 °C
• PSA: 112.65000
• LogP: 3.25280
• Storage Temp.: Inert atmosphere,Room Temperature
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 340.14230712
• Heavy Atom Count: 25
• Complexity: 372

Purity/Quality:

99% ^*data from raw suppliers

(6,11-Dihydro-5H-dibenzo[b,e]azepin-6-yl)methanaminefumarate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=CC=CC=C2C(NC3=CC=CC=C31)CN.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: C1C2=CC=CC=C2C(NC3=CC=CC=C31)CN.C(=C/C(=O)O)\C(=O)O

Technology Process of (6,11-Dihydro-5H-dibenzo[b,e]azepin-6-yl)methanamine fumarate

There total 6 articles about (6,11-Dihydro-5H-dibenzo[b,e]azepin-6-yl)methanamine fumarate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 76.1%

N-<(11H-dibenzazepin-6-yl)methyl>phthalimide (74860-00-7) + (2E)-but-2-enedioic acid (110-17-8,26099-09-2) → 6,11-dihydro-5H-dibenzazepine-6-methanamine fumarate (127785-96-0,80012-79-9)

Guidance literature:

N-<(11H-dibenzazepin-6-yl)methyl>phthalimide; With sodium tetrahydroborate; In methanol; water; isopropyl alcohol; toluene; at 20 - 30 ℃; for 24.5h;

With hydrogenchloride; In water; isopropyl alcohol; at 20 - 80 ℃; for 1.5h;

(2E)-but-2-enedioic acid; With sodium hydroxide; more than 3 stages; Product distribution / selectivity;

Reference yield: 76.0%

6-aminomethyl-6,11-dihydro-5H-dibenzo[b,e]azepine (41218-84-2) + (2E)-but-2-enedioic acid (110-17-8,26099-09-2) → 6,11-dihydro-5H-dibenzazepine-6-methanamine fumarate (127785-96-0,80012-79-9)

Guidance literature:

In methanol; at 20 ℃; for 1h;

Reference yield:

N-[2-(phenylmethyl)phenyl]-2-chloroacetamide (21535-43-3) → 6,11-dihydro-5H-dibenzazepine-6-methanamine fumarate (127785-96-0,80012-79-9)

Guidance literature:

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

With hydrogenchloride; formic acid; 5%-palladium/activated carbon; hydrogen; potassium hydroxide; trichlorophosphate; In methanol; water; N,N-dimethyl-formamide; glycerol; toluene;

upstream raw materials:

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

(2E)-but-2-enedioic acid

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

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

Downstream raw materials:

epinastine

Refernces

• 1、 -. "NOVEL CRYSTAL MODIFICATION OF EPINASTINE OR SALTS THEREOF AND PROCESS FOR PREPARATION THEREOF". Page/Page column 24. . Retrieved 2009/06/27.