Delprostenate

Base Information

Chemical Name:Delprostenate
CAS No.:62524-99-6
Molecular Formula:C23H29 Cl O6
Molecular Weight:436.929
Hs Code.:
UNII:M99W4Q30OL
DSSTox Substance ID:DTXSID101024278
Wikidata:Q27283717
NCI Thesaurus Code:C76333
ChEMBL ID:CHEMBL3989453
Mol file:62524-99-6.mol

Synonyms:delprostenate;ONO 1052;ONO-1052;PGF2alpha-1052

Suppliers and Price of Delprostenate

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

American Custom Chemicals Corporation
DELPROSTENATE 95.00%
5MG
$ 502.83

Total 4 raw suppliers

Chemical Property of Delprostenate

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Boiling Point:592.569°C at 760 mmHg
Flash Point:312.175°C
PSA：96.22000
Density:1.283g/cm³
LogP:3.05940
XLogP3:3.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:11
Exact Mass:436.1652663
Heavy Atom Count:30
Complexity:605

Purity/Quality:

99% ^*data from raw suppliers

DELPROSTENATE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C=CCC=CCC1C(CC(C1C=CC(COC2=CC(=CC=C2)Cl)O)O)O
Isomeric SMILES:COC(=O)/C=C/C/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/[C@H](COC2=CC(=CC=C2)Cl)O)O)O

Technology Process of Delprostenate

There total 13 articles about Delprostenate 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: 71.0%

: 62524-98-5
16-(3-chlorophenoxy)-17,18,19,20-tetranor-2,3-trans-didehydroprostaglandin F_2α methyl ester 9,11,15-tris(tetrahydropyran-2-yl ether)

: 62524-99-6
16-(3-chlorophenoxy)-17,18,19,20-tetranor-2,3-trans-didehydroprostaglandin F_2α methyl ester

Guidance literature:: With acetic acid; In tetrahydrofuran; at 70 ℃; for 0.333333h;
DOI:10.1021/jm00179a011

Reference yield:

: 40665-94-9
dimethyl 3-(3-chlorophenoxy)-2-oxopropylphosphonate

: 62524-99-6
16-(3-chlorophenoxy)-17,18,19,20-tetranor-2,3-trans-didehydroprostaglandin F_2α methyl ester

Guidance literature:: Multi-step reaction with 7 steps

1: 1.) NaH / 1.) THF, 25 deg C, 20 min, 2.) THF, from 25 deg C to 60 deg C, 4.5 h

2: NaBH₄ / methanol; tetrahydrofuran / -45 °C

3: K₂CO₃ / methanol / 1 h / 50 °C

4: p-toluenesulfonic acid / CH₂Cl₂ / 0.33 h / 25 °C

5: 1.) LDA / 1.) THF, hexane, -78 deg C, 20 min, 2.) THF, hexane, a) -78 deg C, 30 min, b) 20 deg C, 30 min

6: 85 percent / 30percent H₂O₂ / ethyl acetate; methanol / 0.33 h / 40 °C

7: 71 percent / 65percent aq. acetic acid / tetrahydrofuran / 0.33 h / 70 °C

With sodium tetrahydroborate; dihydrogen peroxide; sodium hydride; potassium carbonate; toluene-4-sulfonic acid; acetic acid; lithium diisopropyl amide; In tetrahydrofuran; methanol; dichloromethane; ethyl acetate;
DOI:10.1021/jm00179a011

Reference yield:

: 61218-06-2
methyl (Z)-7-[(1R,2R,3R,5S)-5-acetoxy-2-formyl-3-(2-tetrahydropyranyloxy)cyclopentyl]-5-heptenate

: 62524-99-6
16-(3-chlorophenoxy)-17,18,19,20-tetranor-2,3-trans-didehydroprostaglandin F_2α methyl ester

Guidance literature:: Multi-step reaction with 7 steps

1: 1.) NaH / 1.) THF, 25 deg C, 20 min, 2.) THF, from 25 deg C to 60 deg C, 4.5 h

2: NaBH₄ / methanol; tetrahydrofuran / -45 °C

3: K₂CO₃ / methanol / 1 h / 50 °C

4: p-toluenesulfonic acid / CH₂Cl₂ / 0.33 h / 25 °C

5: 1.) LDA / 1.) THF, hexane, -78 deg C, 20 min, 2.) THF, hexane, a) -78 deg C, 30 min, b) 20 deg C, 30 min

6: 85 percent / 30percent H₂O₂ / ethyl acetate; methanol / 0.33 h / 40 °C

7: 71 percent / 65percent aq. acetic acid / tetrahydrofuran / 0.33 h / 70 °C

With sodium tetrahydroborate; dihydrogen peroxide; sodium hydride; potassium carbonate; toluene-4-sulfonic acid; acetic acid; lithium diisopropyl amide; In tetrahydrofuran; methanol; dichloromethane; ethyl acetate;
DOI:10.1021/jm00179a011