Oct-3-hemiglutarate

Base Information

Chemical Name:Oct-3-hemiglutarate
CAS No.:143773-34-6
Molecular Formula:C31H48 O7
Molecular Weight:532.71
Hs Code.:
Mol file:143773-34-6.mol

Synonyms:22-oxacalcitriol-3-hemiglutarate;OCT-3-hemiglutarate;OCT-3-HG

Suppliers and Price of Oct-3-hemiglutarate

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 1 raw suppliers

Chemical Property of Oct-3-hemiglutarate

Chemical Property:

Vapor Pressure:7.54E-22mmHg at 25°C
Boiling Point:687°C at 760 mmHg
Flash Point:215°C
PSA：113.29000
Density:1.15g/cm³
LogP:5.49930
XLogP3:3.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:12
Exact Mass:532.34000387
Heavy Atom Count:38
Complexity:933

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)OC(=O)CCCC(=O)O)C)OCCC(C)(C)O
Isomeric SMILES:C[C@@H](C1CC[C@H]\2[C@]1(CCC/C2=C\C=C\3/C[C@@H](C[C@@H](C3=C)O)OC(=O)CCCC(=O)O)C)OCCC(C)(C)O

Technology Process of Oct-3-hemiglutarate

There total 4 articles about Oct-3-hemiglutarate 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: 62.0%

: 143773-33-5
(5Z,7E)-(1S,3R)-1,25-dihydroxy-22-oxa-9,10-secocholesta-5,7,10⁽¹⁹⁾-trien-3-yl (2',2',2'-trichloroethylglutarate)

: 143773-34-6
(5Z,7E)-(1S,3R)-1,25-dihydroxy-22-oxa-9,10-secocholesta-5,7,10⁽¹⁹⁾-trien-3-yl hemiglutarate

Guidance literature:: With sodium dihydrogenphosphate; zinc; In tetrahydrofuran; at 0 ℃; for 4.5h;
DOI:10.1248/cpb.40.1520

Reference yield:

: 142785-61-3
1α,3β-dihydroxy-20(S)-(3-hydroxy-3-methylbutyloxy)pregna-5,7-diene

: 143773-34-6
(5Z,7E)-(1S,3R)-1,25-dihydroxy-22-oxa-9,10-secocholesta-5,7,10⁽¹⁹⁾-trien-3-yl hemiglutarate

Guidance literature:: Multi-step reaction with 3 steps

1: 27 percent / pyridine / tetrahydrofuran / 15 h / 0 °C

2: 1.) THF, irrad., 0 deg C, 15 min, 2.) THF, reflux, 4 h

3: 62 percent / NaH₂PO₄, Zn / tetrahydrofuran / 4.5 h / 0 °C

With pyridine; sodium dihydrogenphosphate; zinc; In tetrahydrofuran;
DOI:10.1248/cpb.40.1520

Reference yield:

: 103909-78-0
1α,3β-bis(tert-butyldimethylsilyloxy)-20(S)-(3-hydroxy-3-methylbutyloxy)pregna-5,7-diene

: 143773-34-6
(5Z,7E)-(1S,3R)-1,25-dihydroxy-22-oxa-9,10-secocholesta-5,7,10⁽¹⁹⁾-trien-3-yl hemiglutarate

Guidance literature:: Multi-step reaction with 4 steps

1: 85 percent / tetrabutylammonium fluoride / tetrahydrofuran / 18 h / Heating

2: 27 percent / pyridine / tetrahydrofuran / 15 h / 0 °C

3: 1.) THF, irrad., 0 deg C, 15 min, 2.) THF, reflux, 4 h

4: 62 percent / NaH₂PO₄, Zn / tetrahydrofuran / 4.5 h / 0 °C

With pyridine; sodium dihydrogenphosphate; tetrabutyl ammonium fluoride; zinc; In tetrahydrofuran;
DOI:10.1248/cpb.40.1520