3-Benzyl-2,3,4,5-tetrahydro-1H-1,5-methanobenzo[d]azepine

Base Information

• Chemical Name: 3-Benzyl-2,3,4,5-tetrahydro-1H-1,5-methanobenzo[d]azepine
• CAS No.: 230615-48-2
• Molecular Formula: C18H19N
• Molecular Weight: 249.356
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50476458
• Mol file: 230615-48-2.mol

Synonyms:230615-48-2;3-Benzyl-2,3,4,5-tetrahydro-1H-1,5-methanobenzo[d]azepine;1,5-Methano-1H-3-benzazepine, 2,3,4,5-tetrahydro-3-(phenylmethyl)-;10-benzyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene;SCHEMBL1972330;DTXSID50476458;TWQZMFJJYHNANK-UHFFFAOYSA-N;CS-B0004;MFCD23135624;AKOS016006673;AC-26380;CS-13528;3-Benzyl-2,3,4,5-tetrahydro-1H-1,5-methano-3-benzazepine;3-n-benzyl-2,3,4,5-tetrahydro-1,5-methano-1h-3-benzazepine;10-Benzyl-10-aza-tricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene;10-benzyl-10-aza-tricyclo[6.3.1.02.7]dodeca-2(7),3,5-triene;10-benzyl-10-azatricyclo[6.3.1.02, 7]dodeca-2, 4, 6-triene

Chemical Property of 3-Benzyl-2,3,4,5-tetrahydro-1H-1,5-methanobenzo[d]azepine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.624
• Boiling Point: 374.495 °C at 760 mmHg
• Flash Point: 162.136 °C
• PSA: 3.24000
• Density: 1.123 g/cm³
• LogP: 3.71120
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 249.151749610
• Heavy Atom Count: 19
• Complexity: 287

Purity/Quality:

99% ^*data from raw suppliers

3-Benzyl-2,3,4,5-tetrahydro-1H-1,5-methanobenzo[d]azepine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2CN(CC1C3=CC=CC=C23)CC4=CC=CC=C4

Technology Process of 3-Benzyl-2,3,4,5-tetrahydro-1H-1,5-methanobenzo[d]azepine

There total 9 articles about 3-Benzyl-2,3,4,5-tetrahydro-1H-1,5-methanobenzo[d]azepine 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: 48.0%

→ 3-benzyl-2,3,4,5-tetrahydro-1,5-methano-1H-3-benzazepine (230615-48-2)

Guidance literature:

Reference yield:

benzylamine (100-46-9) + 11-methoxy-10-oxa-tricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-9-ol → 3-benzyl-2,3,4,5-tetrahydro-1,5-methano-1H-3-benzazepine (230615-48-2)

Guidance literature:

With formic acid; hydrogen; platinum on activated charcoal; In methanol; at 20 ℃; for 4h; under 2585.74 Torr;

DOI:10.1055/s-2004-829135

Reference yield:

benzylamine (100-46-9) + indane-1,3-dicarbaldehyde → 3-benzyl-2,3,4,5-tetrahydro-1,5-methano-1H-3-benzazepine (230615-48-2)

Guidance literature:

With sodium tris(acetoxy)borohydride; In 1,2-dichloro-ethane; at 20 ℃;

DOI:10.1055/s-2004-829135

upstream raw materials:

benzylamine

(1R,2R,3S,4S)-1,2,3,4-tetrahydro-1,4-methanonaphthalene-2,3-diol

cyclopenta-1,3-diene

2,3-dibromobenzene

Downstream raw materials:

2,3,4,5-tetrahydro-1,5-methylene-1H-3-benzazepine hydrochloride

1,5-methano-2,3,4,5-tetrahydro-1H-3-benzazepine p-toluenesulfonic acid salt

Refernces

• 1、 -. "PROCESS FOR PREPARING VARENICLINE, VARENICLINE INTERMEDIATES, AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF". Page/Page column 15-16. . Retrieved 2010/04/06.
• 2、 -. "PROCESSES FOR THE PREPARATION OF VARENICLINE AND INTERMEDIATES THEREOF". Page/Page column 8-9. . Retrieved 2009/12/28.