Bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl ketone O-(2-hydroxypropyl)oxime

Base Information

• Chemical Name: Bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl ketone O-(2-hydroxypropyl)oxime
• CAS No.: 6813-92-9
• Molecular Formula: C₁₃H₁₇NO₂
• Molecular Weight: 219.283
• Hs Code.: 2928000090
• Nikkaji Number: J94.665F
• Mol file: 6813-92-9.mol

Synonyms:BRN 2457552;O-(2-Hydroxypropyl)-1-acetylbenzocyclobutene oxime;Bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl ketone O-(2-hydroxypropyl)oxime;6813-92-9;KETONE, BICYCLO(4.2.0)OCTA-1,3,5-TRIEN-7-YL METHYL, O-(2-HYDROXYPROPYL)OXIME;LS-87061;Bicyclo[4.2.0]octa-1,3,5-trien-7-yl(methyl) ketone O-(2-hydroxypropyl)oxime

Chemical Property of Bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl ketone O-(2-hydroxypropyl)oxime

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.5100 (estimate)
• Boiling Point: 354.7°Cat760mmHg
• PKA: 14.72±0.20(Predicted)
• Flash Point: 168.3°C
• PSA: 41.82000
• Density: 1.14g/cm³
• LogP: 2.09960
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 219.125928785
• Heavy Atom Count: 16
• Complexity: 265

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(CON=C(C)C1CC2=CC=CC=C12)O
• Isomeric SMILES: CC(CO/N=C(\C)/C1CC2=CC=CC=C12)O

Technology Process of Bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl ketone O-(2-hydroxypropyl)oxime

There total 1 articles about Bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl ketone O-(2-hydroxypropyl)oxime 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-Acetylbenzocyclobutenoxim (3264-31-1) + methyloxirane (75-56-9,16033-71-9) → O-(2-Hydroxypropyl)-1-acetylbenzocyclobutene Oxime (6813-92-9)

Guidance literature:

Multistep reaction; (i) NaNH₂, DMF, (ii) /BRN= 79763/;

DOI:10.1021/jm00323a004

upstream raw materials:

1-Acetylbenzocyclobutenoxim

methyloxirane

Refernces