perhydro-azepin-3-one

Base Information

• Chemical Name: perhydro-azepin-3-one
• CAS No.: 171257-01-5
• Molecular Formula: C6H11NO
• Molecular Weight: 113.15800
• Mol file: 171257-01-5.mol

Synonyms:3H-Azepin-3-one,hexahydro;

Chemical Property of perhydro-azepin-3-one

Chemical Property:

• Boiling Point: 200.2±33.0 °C(Predicted)
• PKA: 8.35±0.20(Predicted)
• PSA: 29.10000
• Density: 0.969±0.06 g/cm3(Predicted)
• LogP: 0.65780

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of perhydro-azepin-3-one

There total 15 articles about perhydro-azepin-3-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: 98.0%

1-benzylazepan-3-one (146407-32-1) → ε-caprolactam (171257-01-5)

Guidance literature:

With hydrogen; palladium(II) oxide; In methanol; water; at 20 ℃; under 3750.38 Torr;

Reference yield: 95.56%

C14H23NO5 + ethyl (+/-)-1-(tert-butyloxycarbonyl)-3-oxoperhydroazepine-4-carboxylate (98977-38-9) → ε-caprolactam (171257-01-5)

Guidance literature:

With hydrogenchloride; In water; for 12h; Reflux;

Reference yield: 59.0%

trans,trans-muconic acid (3588-17-8) → hexamethylene imine (111-49-9) + ε-caprolactam (171257-01-5)

Guidance literature:

trans,trans-muconic acid; With 5% palladium on Al₂O₃; ammonia; In 1,4-dioxane; at 20 ℃; for 0.5h; under 2625.26 Torr;

With hydrogen; In 1,4-dioxane; at 250 ℃; for 3h; under 12751.3 Torr; Autoclave;

upstream raw materials:

1-benzylazepan-3-one

dimethyl 3-oxoadipate

α-hydromuconic acid

γ-(carboxymethyl)-γ-butyrolactone

Downstream raw materials:

C₈H₁₆N₂O

(R)-(+)-3-Amino-hexahydro-1H-azepin

3-oxoazepane-1-carboxylic acid tert-butyl ester