N-Hydroxy-2-propylpentanamide

Base Information

• Chemical Name: N-Hydroxy-2-propylpentanamide
• CAS No.: 106132-78-9
• Molecular Formula: C8H17 N O2
• Molecular Weight: 159.23
• Hs Code.: 2924199090
• European Community (EC) Number: 695-598-9
• DSSTox Substance ID: DTXSID50147530
• Nikkaji Number: J819.584F
• Wikidata: Q27216290
• ChEMBL ID: CHEMBL186311
• Mol file: 106132-78-9.mol

Synonyms:valproic acid hydroxamate

Chemical Property of N-Hydroxy-2-propylpentanamide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 86.63000
• Density: 0.968g/cm³
• LogP: 1.16380
• Storage Temp.: 2-8°C
• Solubility.: DMSO: ≥25mg/mL
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 159.125928785
• Heavy Atom Count: 11
• Complexity: 109

Purity/Quality:

97% ^*data from raw suppliers

VAHA ≥98% (HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(CCC)C(=O)NO

Technology Process of N-Hydroxy-2-propylpentanamide

There total 3 articles about N-Hydroxy-2-propylpentanamide 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: 60.0%

valproyl chloride (2936-08-5) → 2-propylpentane hydroxamic acid (106132-78-9)

Guidance literature:

With hydroxylamine; In tetrahydrofuran; at 0 ℃; for 1h;

DOI:10.1023/A:1012009012850

Reference yield: 24.0%

methyl 2-propylvalerate (22632-59-3) → 2-propylpentane hydroxamic acid (106132-78-9)

Guidance literature:

With hydroxylamine hydrochloride; sodium hydroxide; In methanol; for 1.5h; Reflux;

DOI:10.1021/ml1001954

Reference yield:

valproic acid (99-66-1) → 2-propylpentane hydroxamic acid (106132-78-9)

Guidance literature:

With hydroxylamine;

DOI:10.1016/j.bmcl.2004.09.013

upstream raw materials:

valproyl chloride

valproic acid

methyl 2-propylvalerate