Travoprost 5,6-trans isomer

Base Information Edit

Chemical Name:Travoprost 5,6-trans isomer
CAS No.:1563176-59-9
Molecular Formula:C₂₆H₃₅F₃O₆
Molecular Weight:500.556
Hs Code.:
European Community (EC) Number:810-031-9
UNII:IDA6371YXH
Wikidata:Q27280671
Mol file:1563176-59-9.mol

Synonyms:Travoprost 5,6-trans isomer;1563176-59-9;5,6-trans Travoprost;5,6-trans-Travoprost;propan-2-yl (E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoate;15(S)-Fluprostenol isopropyl ester;5-trans-Travoprost;Fluprostenol isopropyl ester;(+)-Travoprost;IDA6371YXH;BIDD:GT0051;SCHEMBL11907117;MKPLKVHSHYCHOC-JPVYXPJZSA-N;AMY30130;AKOS025294613;CS-O-08358;PD021287;SR-01000946861;SR-01000946861-1;Q27280671;(+/-)-16-(m-trifluoromethylphenoxy)tetranorprostaglandin f2;TRAVOPROST IMPURITY, 5,6-TRANS ISOMER- [USP IMPURITY];(5E,13E)-(9S,11R,15R)-9,11,15-TRIHYDROXY-16-(M-TRIFLUOROMETHYLPHENOXY)-17,18,19,20-TETRANOR-5,13-PROSTADIENOIC ACID, ISOPROPYL ESTER;(E)-ISOPROPYL 7-((1R,2R,3R,5S)-3,5-DIHYDROXY-2-((R,E)-3-HYDROXY-4-(3-(TRIFLUOROMETHYL)PHENOXY)BUT-1-EN-1-YL)CYCLOPENTYL)HEPT-5-ENOATE

Suppliers and Price of Travoprost 5,6-trans isomer

Supply Marketing:Edit

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

TRC
5,6-transTravoprost
10mg
$ 575.00

Cayman Chemical
5-trans Fluprostenol isopropyl ester ≥95%
5mg
$ 320.00

Cayman Chemical
5-trans Fluprostenol isopropyl ester ≥95%
1mg
$ 71.00

Cayman Chemical
5-trans Fluprostenol isopropyl ester ≥95%
10mg
$ 568.00

Cayman Chemical
5-trans Fluprostenol isopropyl ester ≥95%
50mg
$ 2272.00

American Custom Chemicals Corporation
5,6-TRANS TRAVOPROST 95.00%
5MG
$ 495.55

AK Scientific
Travoprost5,6-transisomer
5mg
$ 532.00

Total 7 raw suppliers

Chemical Property of Travoprost 5,6-trans isomer Edit

Chemical Property:

Boiling Point:584.8±50.0 °C(Predicted)
PKA:13.43±0.20(Predicted)
PSA：96.22000
Density:1.245±0.06 g/cm3(Predicted)
LogP:4.42740
Storage Temp.:Hygroscopic, -20°C Freezer, Under inert atmosphere
Solubility.:Chloroform (Slightly), Dichloromethane (Slightly), Methanol (Slightly)
XLogP3:4.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:13
Exact Mass:500.23857332
Heavy Atom Count:35
Complexity:693

Purity/Quality:

98%, ^*data from raw suppliers

5,6-transTravoprost ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)OC(=O)CCCC=CCC1C(CC(C1C=CC(COC2=CC=CC(=C2)C(F)(F)F)O)O)O
Isomeric SMILES:CC(C)OC(=O)CCC/C=C/C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/[C@H](COC2=CC=CC(=C2)C(F)(F)F)O)O)O
Uses An 5,6-trans isomeric impurity of the selective FP prostaglandin receptor agonist Travoprost (T715600).

Technology Process of Travoprost 5,6-trans isomer

There total 85 articles about Travoprost 5,6-trans isomer 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%

: 67-63-0,8013-70-5
isopropyl alcohol

: 54276-17-4
(+)-fluprostenol

: 340181-93-3,1563176-59-9
travoprost

Guidance literature:: With Lipase Novozym 435; at 30 ℃; for 18h; Enzymatic reaction;

Reference yield: 85.5%

: 404830-45-1
15-keto-travoprost

: 340181-93-3,1563176-59-9
isopropyl (5E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxy-4-[3-(trifluoromethyl)-phenoxy]-1-butenyl]cyclopentyl]-5-heptenoate

Guidance literature:: With dimethylsulfide borane complex; (S)-1-methyl-3,3-diphenyl-hexahydropyrrolo[1,2-c][1,3,2]oxazaborole; In tetrahydrofuran; at -10 - -7 ℃; for 5h; Solvent; Temperature; Inert atmosphere;