1,5,6,7-Tetrahydro-2H-azepin-2-one

Base Information

• Chemical Name: 1,5,6,7-Tetrahydro-2H-azepin-2-one
• CAS No.: 2228-79-7
• Molecular Formula: C6H9NO
• Molecular Weight: 111.144
• Hs Code.: 2933990090
• Mol file: 2228-79-7.mol

Synonyms:3,4-Dihydro-2H-azepin-7-ol;1,5,6,7-Tetrahydro-azepin-2-on;1,5,6,7-tetrahydro-azepin-2-one;6-amino-2-hexenoic acid lactam;ZLD0604;1,5,6,7-tetrahydroazepine-2-one;2H-Azepin-2-one,1,5,6,7-tetrahydro;1,5,6,7-Tetrahydro-2H-azepin-2-one;

Chemical Property of 1,5,6,7-Tetrahydro-2H-azepin-2-one

Chemical Property:

• PSA: 32.59000
• LogP: 0.72850
• Storage Temp.: Sealed in dry,Store in freezer, under -20°C
• Solubility.: Ethyl Acetate (Slightly), Methanol (Slightly), Water (Slightly)

Purity/Quality:

99% ^*data from raw suppliers

2,5,6,7-tetrahydro-1H-azepin-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1,5,6,7-Tetrahydro-2H-azepin-2-one

There total 2 articles about 1,5,6,7-Tetrahydro-2H-azepin-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:

cyclohexanone-oxime (100-64-1) → caprolactam (105-60-2,9012-16-2) + 1,5,6,7-Tetrahydro-2H-azepin-2-one (2228-79-7) + 1-methyl-4,5,6,7-tetrahydro-1H-benzo[d]imidazole (1837-49-6) + 1,3,4,5-tetrahydro-azepin-2-one (2228-76-4) + 1,2,3,4,6,7,8,9-octahydrophenazine (4006-50-2)

Guidance literature:

With methanol; high silica zeolite; at 380 ℃;

Reference yield:

chloroform (67-66-3,8013-54-5) + sulfuric acid (7664-93-9) + (Z)-cyclohex-2-en-1-one oxime (2228-75-3) + sulfur trioxide (7446-11-9) + aniline (62-53-3) → 1,5,6,7-Tetrahydro-2H-azepin-2-one (2228-79-7) + 1,3,4,5-tetrahydro-azepin-2-one (2228-76-4) + cyclohexenone oxime hydrochloride (2229-00-7)

Guidance literature:

Reference yield: 4.0%

1,5,6,7-Tetrahydro-2H-azepin-2-one (2228-79-7) + trans 2-phenylethenesulfonyl chloride (52147-97-4) → (E)-1-(styrylsulfonyl)-1,5,6,7-tetrahydro-2H-azepin-2-one

Guidance literature:

1,5,6,7-Tetrahydro-2H-azepin-2-one; With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 0.5h;

trans 2-phenylethenesulfonyl chloride; In tetrahydrofuran; at -78 ℃; for 2h;

upstream raw materials:

chloroform

sulfuric acid

(Z)-cyclohex-2-en-1-one oxime

sulfur trioxide

Downstream raw materials:

hexamethylene imine

2,5,6,7-Tetrahydro-1H-azepine

1-(Benzyloxycarbonyl)hexahydro-1H-azepine

2,3,4,7-tetrahydro-azepine-1-carboxylic acid benzyl ester