3,3-dichloroazocan-2-one

Base Information

• Chemical Name: 3,3-dichloroazocan-2-one
• CAS No.: 26228-96-6
• Molecular Formula: C7H11Cl2NO
• Molecular Weight: 196.07400
• Mol file: 26228-96-6.mol

Synonyms:3,3-dichloroperhydroazocin-2-one;2-Propenoyl chloride,3,3-dichloro;3,3-Dichlor-acryloylchlorid;2(1H)-Azocinone, 3,3-dichlorohexahydro-;3,3-Dichlor-hexahydro-azocin-2-on;3,3-dichloro-azocan-2-one;3,3-dichloro-acryloyl chloride;

Chemical Property of 3,3-dichloroazocan-2-one

Chemical Property:

• Vapor Pressure: 9.06E-05mmHg at 25°C
• Boiling Point: 339.7oC at 760 mmHg
• Flash Point: 159.2oC
• PSA: 32.59000
• Density: 1.27g/cm3
• LogP: 2.12640

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3,3-dichloroazocan-2-one

There total 4 articles about 3,3-dichloroazocan-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: 55.0%

cycloheptanone oxime (2158-31-8) → 3,3-dichlorohexahydroazocin-2(1H)-one (26228-96-6)

Guidance literature:

With phosphorus pentachloride; In xylene; at 80 ℃; for 2h;

Reference yield:

7-amino-heptanoic acid lactam (673-66-5) → 3,3-dichlorohexahydroazocin-2(1H)-one (26228-96-6)

Guidance literature:

7-amino-heptanoic acid lactam; With phosphorus pentachloride; In dichloromethane; toluene; for 2h; Reflux;

With sodium hydrogencarbonate; In water; acetone; for 16h; pH=8; Cooling with ice;

Reference yield:

cycloheptanone (502-42-1) → 3,3-dichlorohexahydroazocin-2(1H)-one (26228-96-6)

Guidance literature:

Multi-step reaction with 3 steps

1.1: hydroxylamine hydrochloride; pyridine / 0 - 20 °C

2.1: phosphorus pentoxide / water / 1 h / 130 - 140 °C

3.1: phosphorus pentachloride / dichloromethane; toluene / 2 h / Reflux

3.2: 16 h / pH 8 / Cooling with ice

With pyridine; phosphorus pentoxide; phosphorus pentachloride; hydroxylamine hydrochloride; In dichloromethane; water; toluene;

upstream raw materials:

cycloheptanone oxime

cycloheptanone

7-amino-heptanoic acid lactam

Downstream raw materials:

methyl azepane-2-carboxylate

3-chlorohexahydroazocin-2(1H)-one

(2R/S)-azepinecarboxylic acid

Refernces

• 1、 Ridley, Damon D.,Simpson, Gregory W.. "Preparations of 3-Substituted Tetra- and Hexa-hydroazocin-2(1H)-ones and Derivatives". . p. 569 - 581. Retrieved 2007/10/02.