3-Cyclohexylideneaminoxypropionic acid

Base Information

• Chemical Name: 3-Cyclohexylideneaminoxypropionic acid
• CAS No.: 103586-54-5
• Molecular Formula: C9H15NO3
• Molecular Weight: 185.223
• DSSTox Substance ID: DTXSID60601613
• Nikkaji Number: J302.542J
• Mol file: 103586-54-5.mol

Synonyms:3-cyclohexylideneaminoxypropionic acid;103586-54-5;SCHEMBL8877419;DTXSID60601613;GJPRJMXTZMPLJF-UHFFFAOYSA-N;3-[(Cyclohexylideneamino)oxy]propanoic acid

Chemical Property of 3-Cyclohexylideneaminoxypropionic acid

Chemical Property:

• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 185.10519334
• Heavy Atom Count: 13
• Complexity: 193

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(=NOCCC(=O)O)CC1

Technology Process of 3-Cyclohexylideneaminoxypropionic acid

There total 4 articles about 3-Cyclohexylideneaminoxypropionic acid 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: 73.0%

3-Cyclohexylideneaminooxy-propionic acid ethyl ester (119881-17-3) → 3-cyclohexylideneaminoxypropionic acid (103586-54-5)

Guidance literature:

With potassium hydroxide; ethanol; for 48h; Ambient temperature;

DOI:10.1021/jm00167a023

Reference yield:

cyclohexanone-oxime (100-64-1) + ethyl acrylate (140-88-5,9003-32-1) → 3-cyclohexylideneaminoxypropionic acid (103586-54-5)

Guidance literature:

With hydrogenchloride; potassium hydroxide; In ethanol; water;

Reference yield:

cyclohexanone-oxime (100-64-1) → 3-cyclohexylideneaminoxypropionic acid (103586-54-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 41 percent / 2 N ethanolic KOH / ethanol / 48 h / 35 °C

2: 73 percent / KOH / ethanol / 48 h / Ambient temperature

With potassium hydroxide; In ethanol;

DOI:10.1021/jm00126a041

upstream raw materials:

3-Cyclohexylideneaminooxy-propionic acid ethyl ester

cyclohexanone-oxime

ethyl acrylate

Downstream raw materials:

(2S,5R,6R)-6-(3-Cyclohexylideneaminooxy-propionylamino)-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid

(6R,7R)-7-(3-Cyclohexylideneaminooxy-propionylamino)-3-methyl-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid

(6R,7R)-3-Acetoxymethyl-7-(3-cyclohexylideneaminooxy-propionylamino)-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid