Isobutyryl-L-carnitine

Base Information

• Chemical Name: Isobutyryl-L-carnitine
• CAS No.: 25518-49-4
• Molecular Formula: C11H21 N O4
• Molecular Weight: 231.292
• UNII: G962K8PXU5
• DSSTox Substance ID: DTXSID70948420
• Wikidata: Q27158106
• Mol file: 25518-49-4.mol

Synonyms:isobutyryl-1-carnitine;isobutyrylcarnitine

Chemical Property of Isobutyryl-L-carnitine

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 66.43000
• Density: g/cm³
• LogP: -0.59960
• Storage Temp.: 2-8°C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 231.14705815
• Heavy Atom Count: 16
• Complexity: 250

Purity/Quality:

98%,99%, ^*data from raw suppliers

Isobutyryl-L-carnitine ≥95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(=O)OC(CC(=O)[O-])C[N+](C)(C)C
• Isomeric SMILES: CC(C)C(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C
• Uses: Isobutyryl-L-carnitine may be used as an analytical reference standard for the separation and identification of underivatized isobutyryl-L-carnitine in human plasma samples using high-performance liquid chromatography coupled to tandem mass spectrometry (HPLC-MS/MS). It may also be used as an analytical reference standard for the quantification of the analyte in human urine samples using liquid chromatography/electrospray ionization tandem mass spectrometry (LC/ESI-MS/MS).

Technology Process of Isobutyryl-L-carnitine

There total 3 articles about Isobutyryl-L-carnitine 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:

L-carnitine (541-15-1,44985-79-7) + isobutyric Acid (79-31-2) → isobutyryl-L-carnitine (25518-49-4)

Guidance literature:

With thionyl chloride; Multistep reaction; 2) CF₃CO₂H;

DOI:10.1021/ac00126a048

Reference yield:

L-carnitine chloride (6645-46-1) + isobutyryl chloride (79-30-1) → isobutyryl-L-carnitine (25518-49-4)

Guidance literature:

With trichloroacetic acid; at 45 ℃; for 18h;

DOI:10.1194/jlr.D061721

Reference yield:

→ isobutyryl-L-carnitine (25518-49-4)

Guidance literature:

entspr. Hydrochlorid, Anionenaustauscher;

upstream raw materials:

L-carnitine

isobutyric Acid

L-carnitine chloride

isobutyryl chloride

Refernces

• 1、 Gaskell, Simon, J.,Guenat, Christian,Millington, David S.,Maltby, David A.,Roe, Charles R.. "Differentiation of Isomeric Acylcarnitines Using Tandem Mass Spectrometry". . p. 2801 - 2805. Retrieved 2007/10/02.