(3R)-3-(2-propylpentanoyloxy)-4-(trimethylazaniumyl)butanoate

Base Information

Chemical Name:(3R)-3-(2-propylpentanoyloxy)-4-(trimethylazaniumyl)butanoate
CAS No.:95782-09-5
Molecular Formula:C₁₅H₂₉NO₄
Molecular Weight:287.4
Hs Code.:
UNII:5Q9MQB3YZR
DSSTox Substance ID:DTXSID20914812
Wikidata:Q82885649
Mol file:95782-09-5.mol

Synonyms:valproylcarnitine

Suppliers and Price of (3R)-3-(2-propylpentanoyloxy)-4-(trimethylazaniumyl)butanoate

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

Total 3 raw suppliers

Chemical Property of (3R)-3-(2-propylpentanoyloxy)-4-(trimethylazaniumyl)butanoate

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
PSA：66.43000
Density:g/cm³
LogP:0.96080
XLogP3:3.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:10
Exact Mass:287.20965841
Heavy Atom Count:20
Complexity:298

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCCC(CCC)C(=O)OC(CC(=O)[O-])C[N+](C)(C)C
Isomeric SMILES:CCCC(CCC)C(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C

Technology Process of (3R)-3-(2-propylpentanoyloxy)-4-(trimethylazaniumyl)butanoate

There total 3 articles about (3R)-3-(2-propylpentanoyloxy)-4-(trimethylazaniumyl)butanoate 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:

: 99-66-1
valproic acid

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

: 95782-09-5
valproylcarnitine

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

Reference yield:

: 2936-08-5
valproyl chloride

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

: 95782-09-5
valproylcarnitine

Guidance literature:: With trifluoroacetic acid; at 50 ℃; for 12h;
DOI:10.1002/jps.22557

Reference yield:

: 99-66-1
valproic acid

: 95782-09-5
valproylcarnitine

Guidance literature:: Multi-step reaction with 2 steps

1: oxalyl dichloride; N,N-dimethyl-formamide / 4 h

2: trifluoroacetic acid / 12 h / 50 °C

With oxalyl dichloride; N,N-dimethyl-formamide; trifluoroacetic acid;
DOI:10.1002/jps.22557