2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione

Base Information

• Chemical Name: 2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione
• CAS No.: 105260-10-4
• Molecular Formula: C18H14N2O3
• Molecular Weight: 306.321
• Hs Code.: 2933990090
• European Community (EC) Number: 800-272-8
• Mol file: 105260-10-4.mol

Synonyms:105260-10-4;2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione;2-(2-Oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-yl)isoindoline-1,3-dione;2-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)isoindole-1,3-dione;1H-Isoindole-1,3(2H)-dione,2-(2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepin-3-yl)-;SCHEMBL2215123;SMZOPJDSHVNPHT-UHFFFAOYSA-N;MFCD22689172;AKOS016028553;SB64949;SS-4542;CS-0440285;3-phthalimido-1,3,4,5-tetrahydro-1-benzazepin-2-one;4,5-dihydro-3-phthalimido-1H-1-benzazepin-2(3H)-one;4,5-dihydro-3-phthalimido-1H-1-benzazepin-2 (3H) -one

Chemical Property of 2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione

Chemical Property:

• PSA: 66.48000
• LogP: 2.31200
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 306.10044231
• Heavy Atom Count: 23
• Complexity: 508

Purity/Quality:

97% ^*data from raw suppliers

2-(2-Oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione >97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=CC=CC=C2NC(=O)C1N3C(=O)C4=CC=CC=C4C3=O

Technology Process of 2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione

There total 2 articles about 2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione 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: 83.0%

potassium phtalimide (1074-82-4) + 3-bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one (86499-96-9) → 4,5-dihydro-3-phthalimido-1H-1-benzazepin-2(3H)-one (105260-10-4)

Guidance literature:

In N,N-dimethyl-formamide; at 60 ℃; for 16h;

DOI:10.1002/hlca.19880710205

Reference yield:

4-(2-aminophenyl)-2-phthalimidobutyric acid + diethyl cyanophosphonate (2942-58-7) → 4,5-dihydro-3-phthalimido-1H-1-benzazepin-2(3H)-one (105260-10-4)

Guidance literature:

With triethylamine; In ethanol; water; N,N-dimethyl-formamide;

Reference yield:

4,5-dihydro-3-phthalimido-1H-1-benzazepin-2(3H)-one (105260-10-4) → (S)-1-t-butyloxycarbonylmethyl-3-amino-2,3,4,5-tetrahydro-1H-[1]benzazepin-2-one tartrate salt (182561-27-9)

Guidance literature:

Multi-step reaction with 3 steps

1: 93 percent / kalium-(tert-butylat) / dimethylformamide / 1 h / 0 - 5 °C

2: 85 percent / 2-aminoethanol / 0.08 h / 80 °C

3: 79 percent / C₆H₅CHO / ethanol / 14 h / Heating

With potassium tert-butylate; benzaldehyde; ethanolamine; In ethanol; N,N-dimethyl-formamide;

DOI:10.1002/hlca.19880710205

upstream raw materials:

potassium phtalimide

3-bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one

diethyl cyanophosphonate

Downstream raw materials:

(S)-1-t-butyloxycarbonylmethyl-3-amino-2,3,4,5-tetrahydro-1H-[1]benzazepin-2-one tartrate salt