Bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl ketone O-butyloxime

Base Information

• Chemical Name: Bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl ketone O-butyloxime
• CAS No.: 7315-27-7
• Molecular Formula: C₁₄H₁₉NO
• Molecular Weight: 217.311
• Nikkaji Number: J94.664H
• Mol file: 7315-27-7.mol

Synonyms:BRN 2452946;7315-27-7;Bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl ketone O-butyloxime;KETONE, BICYCLO(4.2.0)OCTA-1,3,5-TRIEN-7-YL METHYL, O-BUTYLOXIME;LS-87060;Bicyclo[4.2.0]octa-1,3,5-trien-7-yl(methyl) ketone O-butyl oxime

Chemical Property of Bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl ketone O-butyloxime

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Refractive Index: 1.5110 (estimate)
• Boiling Point: 316.8°Cat760mmHg
• Flash Point: 119.1°C
• PSA: 21.59000
• Density: 1.03g/cm³
• LogP: 3.51890
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 217.146664230
• Heavy Atom Count: 16
• Complexity: 249

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCON=C(C)C1CC2=CC=CC=C12
• Isomeric SMILES: CCCCO/N=C(\C)/C1CC2=CC=CC=C12

Technology Process of Bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl ketone O-butyloxime

There total 3 articles about Bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl ketone O-butyloxime 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:

1-cyanobenzocyclobutane (6809-91-2) → 1-Bicyclo[4.2.0]octa-1,3,5-trien-7-yl-ethanone O-butyl-oxime (7315-27-7)

Guidance literature:

Multi-step reaction with 2 steps

1: diethyl ether

2: Py

With pyridine; In diethyl ether;

DOI:10.1021/jm00323a004

Reference yield:

3-(2-chloro-phenyl)-propionitrile (7315-17-5) → 1-Bicyclo[4.2.0]octa-1,3,5-trien-7-yl-ethanone O-butyl-oxime (7315-27-7)

Guidance literature:

Multi-step reaction with 3 steps

1: NaNH₂, liq. NH₃

2: diethyl ether

3: Py

With pyridine; ammonia; sodium amide; In diethyl ether;

DOI:10.1021/jm00323a004

Reference yield:

1-Acetyl-benzocyclobuten (1075-30-5) + butoxyamine hydrochloride (4490-82-8) → 1-Bicyclo[4.2.0]octa-1,3,5-trien-7-yl-ethanone O-butyl-oxime (7315-27-7)

Guidance literature:

With pyridine;

DOI:10.1021/jm00323a004

upstream raw materials:

1-Acetyl-benzocyclobuten

butoxyamine hydrochloride

1-cyanobenzocyclobutane

3-(2-chloro-phenyl)-propionitrile

Refernces