1,3,4,5-Tetrahydro-8-methoxy-1-methyl-3-(phenylmethyl)-1,4-ethano-2H-3-benzazepin-2-one

Base Information

Chemical Name:1,3,4,5-Tetrahydro-8-methoxy-1-methyl-3-(phenylmethyl)-1,4-ethano-2H-3-benzazepin-2-one
CAS No.:105985-24-8
Molecular Formula:C₂₁H₂₃NO₂
Molecular Weight:321.419
Hs Code.:
DSSTox Substance ID:DTXSID001125677

Synonyms:DTXSID001125677;1,3,4,5-Tetrahydro-8-methoxy-1-methyl-3-(phenylmethyl)-1,4-ethano-2H-3-benzazepin-2-one;105985-24-8

Suppliers and Price of 1,3,4,5-Tetrahydro-8-methoxy-1-methyl-3-(phenylmethyl)-1,4-ethano-2H-3-benzazepin-2-one

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 0 raw suppliers

Chemical Property of 1,3,4,5-Tetrahydro-8-methoxy-1-methyl-3-(phenylmethyl)-1,4-ethano-2H-3-benzazepin-2-one

Chemical Property:

XLogP3:3.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:321.172878976
Heavy Atom Count:24
Complexity:473

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC12CCC(CC3=C1C=C(C=C3)OC)N(C2=O)CC4=CC=CC=C4

Technology Process of 1,3,4,5-Tetrahydro-8-methoxy-1-methyl-3-(phenylmethyl)-1,4-ethano-2H-3-benzazepin-2-one

There total 14 articles about 1,3,4,5-Tetrahydro-8-methoxy-1-methyl-3-(phenylmethyl)-1,4-ethano-2H-3-benzazepin-2-one 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: 82.0%

: 105186-64-9
3-benzyl-3,4-dihydro-8-methoxy-1-methyl-1,4-ethano-1H-3-benzazepine-2,5-dione

: 105166-44-7
3-benzyl-4,5-dihydro-8-hydroxy-1-methyl-1,4-ethano-1H-3-benzazepin-2(3H)-one

: 105985-24-8
3-benzyl-4,5-dihydro-8-methoxy-1-methyl-1,4-ethano-1H-3-benzazepin-2(3H)-one

Guidance literature:: With potassium hydroxide; hydrazine hydrate; In diethylene glycol; 1.) 120 deg C, 2.5 h; 2.) 180 deg C, 7 h;

Reference yield: 77.0%

: 105166-44-7
3-benzyl-4,5-dihydro-8-hydroxy-1-methyl-1,4-ethano-1H-3-benzazepin-2(3H)-one

: 74-88-4
methyl iodide

: 105985-24-8
3-benzyl-4,5-dihydro-8-methoxy-1-methyl-1,4-ethano-1H-3-benzazepin-2(3H)-one

Guidance literature:: With potassium hydroxide; In ethanol; at 60 ℃; for 8h;

Reference yield:

: 1798-09-0
m-methoxyphenylacetic acid

: 105985-24-8
3-benzyl-4,5-dihydro-8-methoxy-1-methyl-1,4-ethano-1H-3-benzazepin-2(3H)-one

Guidance literature:: Multi-step reaction with 10 steps

1: 80 percent / conc. sulphuric acid / 2.5 h / Heating

2: 81 percent / sodium, iron(III) nitrate / liquid ammonia; diethyl ether / 2.5 h / -78 °C

3: 70 percent / 1.) n-butyl-lithium/di-isopropylamine; 2.) HMPA / tetrahydrofuran / 0.25 h / -72 °C

4: 60 percent / sodium hydroxide / aq. ethanol / 18 h / Heating

5: 76 percent / polyphosphoric acid / 24 h / 45 °C

6: 76 percent / sodium hydride / toluene / 3 h / 75 °C

7: 83 percent / phenyltrimethylammonium perbromide / tetrahydrofuran / 1 h / 0 °C

8: 76 percent / sodium hydride, 15-crown-5-ether / toluene / Ambient temperature

9: 82 percent / potassium hydroxide, hydrazine hydrate / bis-(2-hydroxy-ethyl) ether / 1.) 120 deg C, 2.5 h; 2.) 180 deg C, 7 h

10: 77 percent / potassium hydroxide / aq. ethanol / 8 h / 60 °C

With N,N,N,N,N,N-hexamethylphosphoric triamide; potassium hydroxide; sodium hydroxide; n-butyllithium; PPA; 15-crown-5; sulfuric acid; sodium; phenyltrimethylammonium tribromide; sodium hydride; hydrazine hydrate; ferric nitrate; diisopropylamine; In tetrahydrofuran; diethyl ether; ethanol; ammonia; toluene; diethylene glycol;