4-(Hydroxyimino)pentanoic acid

Base Information

• Chemical Name: 4-(Hydroxyimino)pentanoic acid
• CAS No.: 6945-36-4
• Molecular Formula: C5H9 N O3
• Molecular Weight: 131.131
• Hs Code.: 2928000090
• European Community (EC) Number: 230-103-8
• NSC Number: 16661
• Nikkaji Number: J265.980H
• Mol file: 6945-36-4.mol

Synonyms:6945-36-4;4-(hydroxyimino)pentanoic acid;SCHEMBL23829487;NSC16661;NSC-16661

Chemical Property of 4-(Hydroxyimino)pentanoic acid

Chemical Property:

• Vapor Pressure: 5.31E-05mmHg at 25°C
• Boiling Point: 323.5°C at 760 mmHg
• PKA: 4.38±0.10(Predicted)
• Flash Point: 149.5°C
• PSA: 69.89000
• Density: 1.2g/cm³
• LogP: 0.70130
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 131.058243149
• Heavy Atom Count: 9
• Complexity: 130

Purity/Quality:

99% ^*data from raw suppliers

Levulinicacidoxime ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=NO)CCC(=O)O
• Isomeric SMILES: C/C(=N/O)/CCC(=O)O

Technology Process of 4-(Hydroxyimino)pentanoic acid

There total 2 articles about 4-(Hydroxyimino)pentanoic 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: 54.0%

5-ketohexanoic acid (3128-06-1) → 4-(hydroxyimino)valeric acid (6945-36-4)

Guidance literature:

With hydroxylamine hydrochloride; sodium hydroxide; In water; at 0 - 20 ℃;

DOI:10.1016/j.bmcl.2010.10.088

Reference yield:

levulinic acid (123-76-2) → 4-(hydroxyimino)valeric acid (6945-36-4)

Guidance literature:

With hydroxylamine;

Reference yield: 80.0%

4-(hydroxyimino)valeric acid (6945-36-4) → levulinic acid (123-76-2)

Guidance literature:

With water; Dess-Martin periodane; In dichloromethane; for 0.25h; Ambient temperature;

DOI:10.1055/s-1999-3476

upstream raw materials:

levulinic acid

5-ketohexanoic acid

Downstream raw materials:

5-methylpyrrolidin-2-one

levulinic acid

succinic acid

succinic acid-mono-N-methylamide

Refernces

• 1、 Tibrewal, Nidhi,Elliott, Gregory I.. "Evaluation of hadacidin analogues". supporting information; experimental part. p. 517 - 519. Retrieved 2011/02/25.