propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-3-oxo-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoate

Base Information Edit

Chemical Name:propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-3-oxo-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoate
CAS No.:130209-77-7
Molecular Formula:C26H36 O5
Molecular Weight:428.569
Hs Code.:
Mol file:130209-77-7.mol

Synonyms:15-keto-17-phenyl-18,19,20-trinor-PGF2alpha-1-isopropyl ester;15-keto-17-phenyl-18,19,20-trinorprostaglandin F2 alpha-1-isopropyl ester;PhXA12

Suppliers and Price of propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-3-oxo-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoate

Supply Marketing:Edit

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

Manufacturers and distributors:

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Chemicals and raw materials
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Total 2 raw suppliers

Chemical Property of propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-3-oxo-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoate Edit

Chemical Property:

Vapor Pressure:8.04E-14mmHg at 25°C
Boiling Point:569.8°Cat760mmHg
Flash Point:184.4°C
PSA：83.83000
Density:1.138g/cm³
LogP:4.17060
XLogP3:3.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:13
Exact Mass:428.25627424
Heavy Atom Count:31
Complexity:603

Purity/Quality:: 99% ，98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)OC(=O)CCCC=CCC1C(CC(C1C=CC(=O)CCC2=CC=CC=C2)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(=O)CCC2=CC=CC=C2)O)O

Technology Process of propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-3-oxo-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoate

There total 4 articles about propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-3-oxo-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoate 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: 76.0%

: 130209-76-6
15α-hydroxy-17-phenyl-18,19,20-trinorprostaglandin F_2α isopropyl ester

: 130209-77-7
15-keto-17-phenyl-18,19,20-trinorprostaglandin F_2α isopropyl ester

Guidance literature:: With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In 1,4-dioxane; for 24h; Ambient temperature;
DOI:10.1021/jm00054a008

Reference yield:

: 38344-08-0
(5Z)-bimatoprost acid

: 130209-77-7
15-keto-17-phenyl-18,19,20-trinorprostaglandin F_2α isopropyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 80 percent / DBU / acetone / 10 h / Ambient temperature

2: 76 percent / DDQ / dioxane / 24 h / Ambient temperature

With 1,8-diazabicyclo[5.4.0]undec-7-ene; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In 1,4-dioxane; acetone;
DOI:10.1021/jm00054a008

Reference yield:

: (Z)-7-[(1R,2S,3R,5S)-2-(tert-Butyl-dimethyl-silanyloxymethyl)-3,5-dihydroxy-cyclopentyl]-hept-5-enoic acid isopropyl ester

: 130209-77-7
15-keto-17-phenyl-18,19,20-trinorprostaglandin F_2α isopropyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: NaHSO₄*H₂O / tetrahydrofuran; H₂O / 13 h / Ambient temperature

2: 1.) PhB(OH)2, molecular sieves 3A, 2.) PCC, AlCl₃, 3.) DIPEA, LiCl, 4.) aq. H₂O₂

With sodium hydrogen sulfate; aluminium trichloride; 3 A molecular sieve; dihydrogen peroxide; N-ethyl-N,N-diisopropylamine; pyridinium chlorochromate; lithium chloride; phenylboronic acid; In tetrahydrofuran; water;
DOI:10.1021/jo960098t