Epinastine hydrobromide

Base Information

• Chemical Name: Epinastine hydrobromide
• CAS No.: 127786-29-2
• Molecular Formula: C16H16BrN3
• Molecular Weight: 330.227
• European Community (EC) Number: 821-693-3
• UNII: 4O6LIW7G3N
• DSSTox Substance ID: DTXSID401000904
• Wikidata: Q27260278
• Mol file: 127786-29-2.mol

Synonyms:Epinastine hydrobromide;127786-29-2;80012-42-6;Epinastine monohydrobromide;Epinastine hydrobromide [MI];UNII-4O6LIW7G3N;4O6LIW7G3N;9,13b-Dihydro-1H-dibenzo[c,f]imidazo[1,5-a]azepin-3-amine hydrobromide;Epinastin HBr;9,13b-Dihydro-1H-dibenz(c,f)imidazo(1,5-a)azepin-3-amine hydrobromide;1H-Dibenz(c,f)imidazo(1,5-a)azepin-3-amine, 9,13b-dihydro-, hydrobromide (1:1);1H-Dibenz(c,f)imidazo(1,5-a)azepin-3-amine, 9,13b-dihydro-, hydrobromide;3-Amino-9,13b-dihydro-1H-dibenzo(c,f)imidazo(1,5-a)azepine hydrobromide;2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,7,9,11,14,16-heptaen-3-amine;hydrobromide;1H-Dibenz[c,f]imidazo[1,5-a]azepin-3-amine, 9,13b-dihydro-, hydrobromide (1:1);AngelicAnhydride;Apinastine Hydrobromide;C16H15N3.BrH;SCHEMBL3989748;C16-H15-N3.Br-H;DTXSID401000904;AMY18454;BCP13638;CFA78629;AKOS015914705;AC-20457;LS-60566;Q27260278;3-Amino-9,13b-dihydro-1H-dibenzo(c,f)imidazo(1,5-a)azepine hydrobromid e;1,2,9,13b-Tetrahydro-3H-dibenzo[c,f]imidazo[1,5-a]azepin-3-imine--hydrogen bromide (1/1);1H-DIBENZ(C,F)IMIDAZO(1,5-A)AZEPIN-3-AMINE, 9,13B-DIHYDRO-, MONOHYDROBROMIDE

Chemical Property of Epinastine hydrobromide

Chemical Property:

• Vapor Pressure: 1.56E-07mmHg at 25°C
• Melting Point: 284-286°
• Boiling Point: 428 °C at 760 mmHg
• Flash Point: 212.7 °C
• PSA: 41.62000
• LogP: 3.62580
• Storage Temp.: Sealed in dry,Room Temperature
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 329.05276
• Heavy Atom Count: 20
• Complexity: 378

Purity/Quality:

99.9% ^*data from raw suppliers

EpinastinHbr ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2C3=CC=CC=C3CC4=CC=CC=C4N2C(=N1)N.Br

Technology Process of Epinastine hydrobromide

There total 7 articles about Epinastine hydrobromide 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: 85.0%

bromocyane (506-68-3) + 6-aminomethyl-6,11-dihydro-5H-dibenzo[b,e]azepine (41218-84-2) → 3-amino-9,13b-dihydro-1H-dibenzimidazo<1,5-a>azepine hydrobromide (127786-29-2)

Guidance literature:

In ethanol; at 0 - 20 ℃; for 3h;

Reference yield:

bromo cyanogen + 6-aminomethyl-6,11-dihydro-5H-dibenzo[b,e]azepine (41218-84-2) → 3-amino-9,13b-dihydro-1H-dibenzimidazo<1,5-a>azepine hydrobromide (127786-29-2)

Guidance literature:

In tetrahydrofuran; methanol; ethanol;

Reference yield:

11H-dibenzazepine-6-carbonitrile (80012-69-7) → 3-amino-9,13b-dihydro-1H-dibenzimidazo<1,5-a>azepine hydrobromide (127786-29-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 1) 100percent sulfuric acid, lithium aluminium hydride / tetrahydrofuran / 2 h / below 40 deg C

2: 52.5 percent / ethanol; tetrahydrofuran / 14 h

With lithium aluminium tetrahydride; sulfuric acid; In tetrahydrofuran; ethanol;

upstream raw materials:

bromocyane

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

6-chloro-11H-dibenzazepine

11H-dibenzazepine-6-carbonitrile

Downstream raw materials:

epinastine

epinastine hydrochloride

Refernces

• 1、 -. "NOVEL CRYSTAL MODIFICATION OF EPINASTINE OR SALTS THEREOF AND PROCESS FOR PREPARATION THEREOF". Page/Page column 25. . Retrieved 2009/06/27.
• 2、 -. "FUSED DIBENZO IMIDAZOLO COMPOUNDS, COMPOSITIONS AND USE". . . Retrieved 2008/06/13.