(2S,3S,4S)-4-Methyl-5-oxo-2-pentyloxolane-3-carboxylic acid

Base Information

Chemical Name:(2S,3S,4S)-4-Methyl-5-oxo-2-pentyloxolane-3-carboxylic acid
CAS No.:109667-12-1
Molecular Formula:C₁₁H₁₈O₄
Molecular Weight:214.262
Hs Code.:
DSSTox Substance ID:DTXSID80911286
Nikkaji Number:J953.650G
Wikidata:Q82881381
Mol file:109667-12-1.mol

Synonyms:(-)-phaseolinic acid;phaseolinic acid

Suppliers and Price of (2S,3S,4S)-4-Methyl-5-oxo-2-pentyloxolane-3-carboxylic acid

Supply Marketing:

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

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Chemical Property of (2S,3S,4S)-4-Methyl-5-oxo-2-pentyloxolane-3-carboxylic acid

Chemical Property:

Vapor Pressure:4.05E-07mmHg at 25°C
Boiling Point:388.6°Cat760mmHg
Flash Point:150°C
PSA：63.60000
Density:1.095g/cm³
LogP:1.82900
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:214.12050905
Heavy Atom Count:15
Complexity:249

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCC1C(C(C(=O)O1)C)C(=O)O
Isomeric SMILES:CCCCC[C@H]1[C@H]([C@@H](C(=O)O1)C)C(=O)O

Technology Process of (2S,3S,4S)-4-Methyl-5-oxo-2-pentyloxolane-3-carboxylic acid

There total 56 articles about (2S,3S,4S)-4-Methyl-5-oxo-2-pentyloxolane-3-carboxylic acid 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: 100.0%

: 203514-28-7
(2S,3S)-2,3,4,5-tetrahydro-5-oxo-2-pentylfuran-3-carboxylic acid

: 74-88-4
methyl iodide

: 109667-12-1
(2S,3S,4S)-4-methyl-5-oxo-2-pentyltetrahydrofuran-3-carboxylic acid

Guidance literature:: (2S,3S)-2,3,4,5-tetrahydro-5-oxo-2-pentylfuran-3-carboxylic acid; With sodium hexamethyldisilazane; In tetrahydrofuran; at -78 ℃; for 1.5h;

methyl iodide; In tetrahydrofuran; at -78 - -20 ℃; stereoselective reaction;
DOI:10.1016/j.tetasy.2011.05.007

Reference yield: 93.0%

: 807346-06-1
(3S,4S,5S)-4-[(E)-hept-1-enyl]-3-methyl-5-pentyldihydrofuran-2(3H)-one

: 109667-12-1
(2S,3S,4S)-4-methyl-5-oxo-2-pentyltetrahydrofuran-3-carboxylic acid

Guidance literature:: (3S,4S,5S)-4-[(E)-hept-1-enyl]-3-methyl-5-pentyldihydrofuran-2(3H)-one; With ozone; In dichloromethane; at -78 ℃;

With dimethylsulfide; In dichloromethane; at 20 ℃;

With sodium chlorite; sodium dihydrogenphosphate; dihydrogen peroxide; In water; acetonitrile;
DOI:10.3987/COM-05-S(T)67