11-Methylbenzo[b][1]benzazepine

Base Information

• Chemical Name: 11-Methylbenzo[b][1]benzazepine
• CAS No.: 52249-32-8
• Molecular Formula: C15H13N
• Molecular Weight: 207.275
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID80200288
• Nikkaji Number: J89.688H
• Mol file: 52249-32-8.mol

Synonyms:52249-32-8;11-methylbenzo[b][1]benzazepine;5-Methyl-5H-dibenz[b,f]azepine;5H-Dibenz(b,f)azepine, 5-methyl-;5-Methyl-5H-dibenz(b,f)azepine;N-Methyl-2,2'-iminostilbene;5-methyl-5H-dibenzo[b,f]azepine;SCHEMBL2607158;DTXSID80200288;11-methyl-11H-benzo[b][1]benzazepine;RP 26443;N-Methyliminostilbene (N-Methyl-2,2'-iminostilbene);5-Methyldibenz[b,f]azepine

Chemical Property of 11-Methylbenzo[b][1]benzazepine

Chemical Property:

• Vapor Pressure: 7.91E-05mmHg at 25°C
• Boiling Point: 341.7°Cat760mmHg
• Flash Point: 145.4°C
• PSA: 3.24000
• Density: 1.101g/cm³
• LogP: 4.00330
• Solubility.: DCM, Toluene
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 207.104799419
• Heavy Atom Count: 16
• Complexity: 245

Purity/Quality:

>95% ^*data from raw suppliers

N-Methyl-2,2''-iminostilbene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1C2=CC=CC=C2C=CC3=CC=CC=C31
• Uses: N-Methyl-2,2''-iminostilbene is an metabolites of Metapramine (M225830), found in plasma in depressed inpatients.

Technology Process of 11-Methylbenzo[b][1]benzazepine

There total 23 articles about 11-Methylbenzo[b][1]benzazepine 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: 95.0%

N,N-bis(2-vinylphenyl)methylamine (1427210-31-8) → N-methyldibenzazepine (52249-32-8)

Guidance literature:

With Hoveyda-Grubbs catalyst second generation; In toluene; at 100 ℃; for 1h; Schlenk technique; Inert atmosphere;

DOI:10.1021/jo4001993

Reference yield: 91.0%

dibenzoazepine (256-96-2) + methyl iodide (74-88-4) → N-methyldibenzazepine (52249-32-8)

Guidance literature:

With sodium hydroxide; butyltriethylammonium hydrogen sulfate; In dichloromethane; water; for 23h;

DOI:10.1002/jhet.5570190667

Reference yield: 84.1%

5-methyl-10-oxo-10,11-dihydro-5H-dibenzo[b,f]azepine (4904-83-0) → N-methyldibenzazepine (52249-32-8)

Guidance literature:

With methanol; sodium tetrahydroborate; at 45 - 50 ℃; for 3h;

upstream raw materials:

5-methyl-10,11-dihydro-5H-dibenzo[b,f]azepine-10-carboxylic acid

dibenzoazepine

dimethyl sulfate

methyl iodide

Downstream raw materials:

5-methyl-10-oxo-10,11-dihydro-5H-dibenzo[b,f]azepine

(3aR,12bR)-8-Methyl-1-phenyl-1,3a,8,12b-tetrahydro-1,2,8-triaza-dibenzo[e,h]azulene-3-carboxylic acid ethyl ester

(3aR,12bR)-8-Methyl-1,3-diphenyl-1,3a,8,12b-tetrahydro-1,2,8-triaza-dibenzo[e,h]azulene

10-methyl-9, 10-dihydro-9-acridinone

Refernces

• 1、 Gini, Andrea,Manche?o, Olga García. "Mild Radical Oxidative sp3-Carbon-Hydrogen Functionalization: Innovative Construction of Isoxazoline and Dibenz[ b, f ]oxepine/azepine Derivatives". . p. 526 - 539. Retrieved 2016.
• 2、 -. "Intermediate compound, carbamazepine and derivative thereof as well as preparation method of oxcarbazepine and derivative thereof". Paragraph 0136; 0137. . Retrieved 2019/12/25.