Acetic acid, (((2Z)-4-((1R,2R,3R,5R)-5-chloro-2-((3R)-3-cyclohexyl-3-hydroxypropyl)-3-hydroxycyclopentyl)-2-butenyl)oxy)-, 1-methylethyl ester

Base Information

Chemical Name:Acetic acid, (((2Z)-4-((1R,2R,3R,5R)-5-chloro-2-((3R)-3-cyclohexyl-3-hydroxypropyl)-3-hydroxycyclopentyl)-2-butenyl)oxy)-, 1-methylethyl ester
CAS No.:170291-06-2
Molecular Formula:C₂₃H₃₉ClO₅
Molecular Weight:431.013
Hs Code.:
UNII:XE6G6DQ45F
Mol file:170291-06-2.mol

Acetic acid, (((2Z)-4-((1R,2R,3R,5R)-5-chloro-2-((3R)-3-cyclohexyl-3-hydroxypropyl)-3-hydroxycyclopentyl)-2-butenyl)oxy)-, 1-methylethyl ester

Synonyms:AL 6598;AL-6598

Suppliers and Price of Acetic acid, (((2Z)-4-((1R,2R,3R,5R)-5-chloro-2-((3R)-3-cyclohexyl-3-hydroxypropyl)-3-hydroxycyclopentyl)-2-butenyl)oxy)-, 1-methylethyl ester

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

Cayman Chemical
AL 6598 ≥97%
5mg
$ 790.00

Cayman Chemical
AL 6598 ≥97%
1mg
$ 190.00

Cayman Chemical
AL 6598 ≥97%
500μg
$ 98.00

Cayman Chemical
AL 6598 ≥97%
10mg
$ 1380.00

AK Scientific
2-(((2Z)-4-((1R,2R,3R,5R)-5-Chloro-2-((3R)-3-cyclohexyl-3-hydroxypropyl)-3-hydroxycyclopentyl)-2-buten-1-yl)oxy)-1-methylethylester,aceticacid
5mg
$ 1166.00

Total 20 raw suppliers

Chemical Property of Acetic acid, (((2Z)-4-((1R,2R,3R,5R)-5-chloro-2-((3R)-3-cyclohexyl-3-hydroxypropyl)-3-hydroxycyclopentyl)-2-butenyl)oxy)-, 1-methylethyl ester

Chemical Property:

Boiling Point:561.1±45.0 °C(Predicted)
PKA:14.51±0.70(Predicted)
PSA：75.99000
Density:1.13±0.1 g/cm3(Predicted)
LogP:4.22670
XLogP3:4.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:12
Exact Mass:430.2486020
Heavy Atom Count:29
Complexity:504

Purity/Quality:

99% ^*data from raw suppliers

AL 6598 ≥97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)OC(=O)COCC=CCC1C(CC(C1CCC(C2CCCCC2)O)O)Cl
Isomeric SMILES:CC(C)OC(=O)COC/C=C\C[C@H]1[C@@H](C[C@H]([C@@H]1CC[C@H](C2CCCCC2)O)O)Cl

Technology Process of Acetic acid, (((2Z)-4-((1R,2R,3R,5R)-5-chloro-2-((3R)-3-cyclohexyl-3-hydroxypropyl)-3-hydroxycyclopentyl)-2-butenyl)oxy)-, 1-methylethyl ester

There total 2 articles about Acetic acid, (((2Z)-4-((1R,2R,3R,5R)-5-chloro-2-((3R)-3-cyclohexyl-3-hydroxypropyl)-3-hydroxycyclopentyl)-2-butenyl)oxy)-, 1-methylethyl ester 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:

: {(Z)-4-[(1R,2R,3R,5S)-2-[(R)-3-Cyclohexyl-3-(tetrahydro-pyran-2-yloxy)-propyl]-5-methanesulfonyloxy-3-(tetrahydro-pyran-2-yloxy)-cyclopentyl]-but-2-enyloxy}-acetic acid isopropyl ester

: 170291-06-2
AL 6598

Guidance literature:: {(Z)-4-[(1R,2R,3R,5S)-2-[(R)-3-Cyclohexyl-3-(tetrahydro-pyran-2-yloxy)-propyl]-5-methanesulfonyloxy-3-(tetrahydro-pyran-2-yloxy)-cyclopentyl]-but-2-enyloxy}-acetic acid isopropyl ester; With tetrabutyl-ammonium chloride; In toluene; at 20 - 55 ℃; for 32h;

With acetic acid; In water; at 65 ℃; for 3.5h;
DOI:10.1016/S0968-0896(02)00016-0

Reference yield:

: ((Z)-4-{(1R,2R,3R,5S)-3-(tert-Butyl-dimethyl-silanyloxy)-2-[(R)-3-(tert-butyl-dimethyl-silanyloxy)-3-cyclohexyl-propyl]-5-methanesulfonyloxy-cyclopentyl}-but-2-enyloxy)-acetic acid isopropyl ester

: 170291-06-2
AL 6598

Guidance literature:: ((Z)-4-{(1R,2R,3R,5S)-3-(tert-Butyl-dimethyl-silanyloxy)-2-[(R)-3-(tert-butyl-dimethyl-silanyloxy)-3-cyclohexyl-propyl]-5-methanesulfonyloxy-cyclopentyl}-but-2-enyloxy)-acetic acid isopropyl ester; With tetrabutyl-ammonium chloride; In toluene; at 55 ℃;

With hydrogen fluoride; In tetrahydrofuran; at 0 - 20 ℃;
DOI:10.1016/S0968-0896(02)00016-0