Bonnecor

Base Information

• Chemical Name: Bonnecor
• CAS No.: 78816-67-8
• Molecular Formula: C₂₁H₂₅N₃O₃*ClH
• Molecular Weight: 403.909
• UNII: GB5HGM31RA
• DSSTox Substance ID: DTXSID501000064
• Wikidata: Q23687769
• ChEMBL ID: CHEMBL1590144
• Mol file: 78816-67-8.mol

Synonyms:Carbamicacid, [5-[(dimethylamino)acetyl]-10,11-dihydro-5H-dibenz[b,f]azepin-3-yl]-,ethyl ester, monohydrochloride (9CI); 5H-Dibenz[b,f]azepine, carbamic acidderiv.; AWD 19-166; Bonnecor; GS 015

Chemical Property of Bonnecor

Chemical Property:

• Vapor Pressure: 3.98E-11mmHg at 25°C
• Boiling Point: 525.3°C at 760 mmHg
• Flash Point: 271.5°C
• PSA: 61.88000
• LogP: 4.51990
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 403.1662694
• Heavy Atom Count: 28
• Complexity: 525

Purity/Quality:

TIRACIZINE HYDROCHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)CN(C)C)C=C1.Cl
• Description: Tiracizine hydrochloride is a antiarrhythmic reported to reduce excitability of cardiac cells via blockade of fast sodium channels.

Technology Process of Bonnecor

There total 4 articles about Bonnecor 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:

3-carbethoxyamino-5-dimethylaminoacetyl-10,11-dihydro-5H-dibenzazepine (83275-56-3) → [5-(2-Dimethylamino-acetyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl]-carbamic acid ethyl ester; hydrochloride (78816-67-8)

Guidance literature:

With hydrogenchloride; In isopropyl alcohol;

Reference yield:

3-amino-10,11-dihydro-5H-dibenzazepine (10464-35-4) → [5-(2-Dimethylamino-acetyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl]-carbamic acid ethyl ester; hydrochloride (78816-67-8)

Guidance literature:

Multi-step reaction with 4 steps

1: Na₂CO₃ / acetone; H₂O / 1.5 h

2: toluene / 4 h / Heating

3: toluene / 4 h / 70 - 110.8 °C

4: HCl in isopropanol / propan-2-ol

With hydrogenchloride; sodium carbonate; In water; isopropyl alcohol; acetone; toluene;

Reference yield:

3-carbethoxyamino-10,11-dihydro-5H-dibenzazepine (78816-40-7) → [5-(2-Dimethylamino-acetyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl]-carbamic acid ethyl ester; hydrochloride (78816-67-8)

Guidance literature:

Multi-step reaction with 3 steps

1: toluene / 4 h / Heating

2: toluene / 4 h / 70 - 110.8 °C

3: HCl in isopropanol / propan-2-ol

With hydrogenchloride; In isopropyl alcohol; toluene;

upstream raw materials:

3-carbethoxyamino-5-dimethylaminoacetyl-10,11-dihydro-5H-dibenzazepine

3-amino-10,11-dihydro-5H-dibenzazepine

3-carbethoxyamino-10,11-dihydro-5H-dibenzazepine

3-carbethoxyamino-5-chloroacetyl-10,11-dihydro-5H-dibenzazepine

Downstream raw materials:

3-amino-5-dimethylaminoacetyl-10,11-dihydro-5H-dibenzazepine

Refernces