(3R,5S)-rel-5-[6-(2,4-Dichlorophenyl)hexyl]tetrahydro-3-hydroxy-2-oxo-3-furanaceticacid

Base Information

Chemical Name:(3R,5S)-rel-5-[6-(2,4-Dichlorophenyl)hexyl]tetrahydro-3-hydroxy-2-oxo-3-furanaceticacid
CAS No.:154566-12-8
Molecular Formula:C18H22 Cl2 O5
Molecular Weight:389.276
Hs Code.:
ChEMBL ID:CHEMBL121446
Mol file:154566-12-8.mol

Synonyms:+-(3R*,5S*)-3-carboxy-11-(2,4-dichlorophenyl)-3,5-dihydroxyundecanoic acid;SB 204990

Suppliers and Price of (3R,5S)-rel-5-[6-(2,4-Dichlorophenyl)hexyl]tetrahydro-3-hydroxy-2-oxo-3-furanaceticacid

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 9 raw suppliers

Chemical Property of (3R,5S)-rel-5-[6-(2,4-Dichlorophenyl)hexyl]tetrahydro-3-hydroxy-2-oxo-3-furanaceticacid

Chemical Property:

Vapor Pressure:2.47E-15mmHg at 25°C
Boiling Point:601.8°Cat760mmHg
Flash Point:317.8°C
Density:1.376g/cm³
XLogP3:5.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:9
Exact Mass:388.0844292
Heavy Atom Count:25
Complexity:472

Purity/Quality:: 99%, ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C(OC(=O)C1(CC(=O)O)O)CCCCCCC2=C(C=C(C=C2)Cl)Cl
Isomeric SMILES:C1[C@H](OC(=O)[C@]1(CC(=O)O)O)CCCCCCC2=C(C=C(C=C2)Cl)Cl

Technology Process of (3R,5S)-rel-5-[6-(2,4-Dichlorophenyl)hexyl]tetrahydro-3-hydroxy-2-oxo-3-furanaceticacid

There total 3 articles about (3R,5S)-rel-5-[6-(2,4-Dichlorophenyl)hexyl]tetrahydro-3-hydroxy-2-oxo-3-furanaceticacid 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: 90.0%

: (+/-)-(3R^*,5S^*)-3-carboxy-11-(2,4-dichlorophenyl)-3,5-dihydroundecanoic acid disodium salt

: 154566-12-8
{(3R,5S)-5-[6-(2,4-Dichloro-phenyl)-hexyl]-3-hydroxy-2-oxo-tetrahydro-furan-3-yl}-acetic acid

Guidance literature:: With hydrogenchloride; In tetrahydrofuran; at 60 ℃; for 6h;
DOI:10.1021/jm980091z

Reference yield:

: 180622-68-8
(+/-)methyl 11-(2,4-dichlorophenyl)-3-hydroxy-3-methoxycarbonyl-5-oxo-undecanoate

: 154566-12-8
{(3R,5S)-5-[6-(2,4-Dichloro-phenyl)-hexyl]-3-hydroxy-2-oxo-tetrahydro-furan-3-yl}-acetic acid

Guidance literature:: Multi-step reaction with 3 steps

1: NaBH₄, cerium(III) chloride heptahydrate / methanol / 0.5 h

2: aq. NaOH / ethanol / 4 h / 0 °C

3: 90 percent / aq. HCl / tetrahydrofuran / 6 h / 60 °C

With hydrogenchloride; sodium hydroxide; sodium tetrahydroborate; cerium(III) chloride; In tetrahydrofuran; methanol; ethanol;
DOI:10.1021/jm980091z

Reference yield:

: 2-[8-(2,4-Dichloro-phenyl)-2-hydroxy-octyl]-2-hydroxy-succinic acid dimethyl ester

: 154566-12-8
{(3R,5S)-5-[6-(2,4-Dichloro-phenyl)-hexyl]-3-hydroxy-2-oxo-tetrahydro-furan-3-yl}-acetic acid

Guidance literature:: Multi-step reaction with 2 steps

1: aq. NaOH / ethanol / 4 h / 0 °C

2: 90 percent / aq. HCl / tetrahydrofuran / 6 h / 60 °C

With hydrogenchloride; sodium hydroxide; In tetrahydrofuran; ethanol;
DOI:10.1021/jm980091z