2-Methylbutyroylcarnitine

Base Information

Chemical Name:2-Methylbutyroylcarnitine
CAS No.:31023-25-3
Molecular Formula:C₁₂H₂₃NO₄
Molecular Weight:245.319
Hs Code.:2923900090
DSSTox Substance ID:DTXSID90423789
Wikidata:Q27140243
Metabolomics Workbench ID:37227
Mol file:31023-25-3.mol

Synonyms:2-Methylbutyroylcarnitine;31023-25-3;3-((2-Methylbutanoyl)oxy)-4-(trimethylammonio)butanoate;2-Methylbutyrylcarnitine;256928-75-3;3-(2-methylbutanoyloxy)-4-(trimethylazaniumyl)butanoate;3-[(2-methylbutanoyl)oxy]-4-(trimethylazaniumyl)butanoate;3-(2-METHYLBUTANOYLOXY)-4-TRIMETHYLAZANIUMYLBUTANOATE;1439469-64-3;3-[(2-methylbutanoyl)oxy]-4-(trimethylammonio)butanoate;Methylbutyroyl-carnitine;(2-methylbutyryl)carnitine;(3R)-3-((2-Methylbutanoyl)oxy)-4-(trimethylammonio)butanoate;SCHEMBL235232;CHEBI:73026;DTXSID90423789;IHCPDBBYTYJYIL-UHFFFAOYSA-N;LMFA07070034;AKOS015899902;AC-8958;A911350;Q27140243;1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-(2-methyl-1-oxobutoxy)-, inner salt, (2R)-;L-2-methylbutyrate (3-carboxy-2-hydroxypropyl)trimethyl-hydroxide Ammonium inner salt

Suppliers and Price of 2-Methylbutyroylcarnitine

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Medical Isotopes, Inc.
2-Methylbutyroylcarnitine 99.9%
5 mg
$ 960.00

American Custom Chemicals Corporation
3-(2-METHYLBUTANOYLOXY)-4-TRIMETHYLAZANIUMYLBUTANOATE 95.00%
5MG
$ 503.35

Total 14 raw suppliers

Chemical Property of 2-Methylbutyroylcarnitine

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
PSA：66.43000
Density:g/cm³
LogP:-0.20950
XLogP3:1.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:245.16270821
Heavy Atom Count:17
Complexity:265

Purity/Quality:

98% ^*data from raw suppliers

2-Methylbutyroylcarnitine 99.9% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC(C)C(=O)OC(CC(=O)[O-])C[N+](C)(C)C
Uses 2-Methylbutyrylcarnitineis was detected in a study of maternal liver metabolic response to vitamin D deficiency.

Technology Process of 2-Methylbutyroylcarnitine

There total 3 articles about 2-Methylbutyroylcarnitine 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:

: 116-53-0,600-07-7
2-Methylbutanoic acid

: 541-15-1,44985-79-7
L-carnitine

: 31023-25-3,256928-75-3
(2-methylbutyryl)carnitine

Guidance literature:: With thionyl chloride; Multistep reaction; 2) CF₃CO₂H;
DOI:10.1021/ac00126a048

Reference yield:

: 5856-79-1,57526-28-0
iso-butyl chloroformate

: 6645-46-1
L-carnitine chloride

: 31023-25-3,256928-75-3
(2-methylbutyryl)carnitine

Guidance literature:: With trichloroacetic acid; at 45 ℃; for 18h;
DOI:10.1194/jlr.D061721

Reference yield:

: 116-53-0,600-07-7
2-Methylbutanoic acid

: 31023-25-3,256928-75-3
(2-methylbutyryl)carnitine

Guidance literature:: Multi-step reaction with 2 steps

1: thionyl chloride / 4 h / 70 °C

2: trichloroacetic acid / 18 h / 45 °C

With thionyl chloride; trichloroacetic acid;
DOI:10.1194/jlr.D061721