(+)-(7S)-7-O-methylsydonic acid

Base Information

Chemical Name:(+)-(7S)-7-O-methylsydonic acid
CAS No.:1313018-91-5
Molecular Formula:C₁₆H₂₄O₄
Molecular Weight:280.364
Hs Code.:
DSSTox Substance ID:DTXSID101193726
Nikkaji Number:J2.969.047B
Wikidata:Q27136713
Metabolomics Workbench ID:105893
ChEMBL ID:CHEMBL1812024

Synonyms:(+)-(7S)-7-O-methylsydonic acid;CHEBI:68220;7-O-Methylsydonic acid;CHEMBL1812024;DTXSID101193726;Q27136713;3-Hydroxy-4-[(1S)-1-methoxy-1,5-dimethylhexyl]benzoic acid;3-hydroxy-4-[(2S)-2-methoxy-6-methylheptan-2-yl]benzoic acid;1313018-91-5

Suppliers and Price of (+)-(7S)-7-O-methylsydonic acid

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 (+)-(7S)-7-O-methylsydonic acid

Chemical Property:

XLogP3:3.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:280.16745924
Heavy Atom Count:20
Complexity:316

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)CCCC(C)(C1=C(C=C(C=C1)C(=O)O)O)OC
Isomeric SMILES:CC(C)CCC[C@@](C)(C1=C(C=C(C=C1)C(=O)O)O)OC

Technology Process of (+)-(7S)-7-O-methylsydonic acid

There total 11 articles about (+)-(7S)-7-O-methylsydonic 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: 95.0%

: 1461710-50-8
C₁₈H₂₈O₄

: 1313018-91-5
(+)-(7S)-7-O-methylsydonic acid

Guidance literature:: C₁₈H₂₈O₄; With sodium hydroxide; In methanol; for 0.5h; Reflux;

With hydrogenchloride; In methanol; water; at 0 ℃;
DOI:10.1016/j.tetasy.2013.07.011

Reference yield:

: C₁₂H₂₄O₂

: 1313018-91-5
(+)-(7S)-7-O-methylsydonic acid

Guidance literature:: Multi-step reaction with 4 steps

1.1: manganese(IV) oxide / dichloromethane / 4 h / Reflux

2.1: BHA / toluene / 3 h / 80 °C / Inert atmosphere

3.1: trifluoroacetic anhydride; triethylamine / tetrahydrofuran / 1 h / 0 - 20 °C / Inert atmosphere

4.1: sodium hydroxide / methanol / 0.5 h / Reflux

4.2: 0 °C

With manganese(IV) oxide; triethylamine; trifluoroacetic anhydride; sodium hydroxide; In tetrahydrofuran; methanol; dichloromethane; toluene;
DOI:10.1016/j.tetasy.2013.07.011

Reference yield:

: C₁₂H₂₂O₂

: 1313018-91-5
(+)-(7S)-7-O-methylsydonic acid

Guidance literature:: Multi-step reaction with 3 steps

1.1: BHA / toluene / 3 h / 80 °C / Inert atmosphere

2.1: trifluoroacetic anhydride; triethylamine / tetrahydrofuran / 1 h / 0 - 20 °C / Inert atmosphere

3.1: sodium hydroxide / methanol / 0.5 h / Reflux

3.2: 0 °C

With triethylamine; trifluoroacetic anhydride; sodium hydroxide; In tetrahydrofuran; methanol; toluene;
DOI:10.1016/j.tetasy.2013.07.011