Isobutyric acid-1-13C

Base Information

Chemical Name:Isobutyric acid-1-13C
CAS No.:6228-78-0
Molecular Formula:C₄H₈O₂
Molecular Weight:89.0953
Hs Code.:
European Community (EC) Number:693-962-1
DSSTox Substance ID:DTXSID20482006

Synonyms:Isobutyric acid-1-13C;6228-78-0;2-methyl(113C)propanoic acid;Isobutyric-1-13C acid;DTXSID20482006;Isobutyric acid-1-13C, 99 atom % 13C

Suppliers and Price of Isobutyric acid-1-13C

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of Isobutyric acid-1-13C

Chemical Property:

XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:89.055784329
Heavy Atom Count:6
Complexity:56.6

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)C(=O)O
Isomeric SMILES:CC(C)[13C](=O)O

Technology Process of Isobutyric acid-1-13C

There total 1 articles about Isobutyric acid-1-13C 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:

: 74-98-6
propane

: 1641-69-6
[13C]Carbon monoxide

: 76-05-1
trifluoroacetic acid

: 38765-83-2
<1-13C>butyric acid

: 431-47-0
trifluoroacetic acid-methyl ester

: 400-38-4
isopropyl Trifluoroacetate

: 6228-78-0
<(13)C1>isobutyric acid

Guidance literature:: With dipotassium peroxodisulfate; Ca[V{ON(CH₂COO)2}2] (amavadine model); at 80 ℃; for 20h; under 6308.42 Torr; Further byproducts.;
DOI:10.1002/adsc.200600575

Reference yield: 87.0%

: 10383-90-1
⁽¹³⁾C-benzaldehyde

: 6228-78-0
<(13)C1>isobutyric acid

: 77586-74-4
<1,3-13C2>-3-hydroxy-2,2-dimethyl-3-phenyl-propionic acid

Guidance literature:: With n-butyllithium; diisopropylamine; In tetrahydrofuran; 1.) -30 deg C, 1 h reflux, 2.) 20 deg C, overnight;
DOI:10.1002/hlca.19800630849

Reference yield: 87.0%

: 1190-73-4
2-(acetylamino)ethanethiol

: 6228-78-0
<(13)C1>isobutyric acid

: ⁽¹³⁾CC₇H₁₅NO₂S

Guidance literature:: With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 25 ℃; for 15h;
DOI:10.1021/jo0703303