Valeric acid-1-13C

Base Information

Chemical Name:Valeric acid-1-13C
CAS No.:38765-82-1
Molecular Formula:C5H10O2
Molecular Weight:103.14
Hs Code.:
European Community (EC) Number:685-223-7
DSSTox Substance ID:DTXSID00482322
Wikidata:Q82318527
Mol file:38765-82-1.mol

Synonyms:Valeric acid-1-13C;(113C)pentanoic acid;38765-82-1;(1-~13~C)Pentanoic acid;DTXSID00482322;Valeric acid-1-13C, 99 atom % 13C, 99% (CP)

Suppliers and Price of Valeric acid-1-13C

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

American Custom Chemicals Corporation
VALERIC ACID-1-13C 95.00%
5MG
$ 496.60

Total 1 raw suppliers

Chemical Property of Valeric acid-1-13C

Chemical Property:

PSA：37.30000
Density:0.948 g/mL at 25 °C (est.)(lit.)
LogP:1.26120
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:103.071434393
Heavy Atom Count:7
Complexity:59.1

Purity/Quality:

99% by CP; 99% atom 13C ^*data from raw suppliers

VALERIC ACID-1-13C 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:C
Statements: 34-52/53
Safety Statements: 26-36-45-61

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Valeric acid-1-13C

There total 5 articles about Valeric 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: 93.0%

: 109-65-9
1-bromo-butane

: 1111-72-4
carbon dioxide

: 38765-82-1
1-13C-Valeriansaeure

Guidance literature:: With magnesium;

Reference yield: 68.0%

: 109-65-9
1-bromo-butane

: sodium cyanide(13C)

: 38765-82-1
1-13C-Valeriansaeure

Guidance literature:: 1-bromo-butane; sodium cyanide(13C); In ethanol; water; Inert atmosphere; Reflux;

With sodium hydroxide; water; Inert atmosphere; Reflux;
DOI:10.1021/ol8023665