Hoet-PO

Base Information

Chemical Name:Hoet-PO
CAS No.:159014-70-7
Molecular Formula:C₃₁H₅₀O₆
Molecular Weight:518.734
Hs Code.:
DSSTox Substance ID:DTXSID401009449
Mol file:159014-70-7.mol

Synonyms:2-(2-(3-hydroxy-12-(2-methyl-1-oxobutoxy)-5-androstan-17-yl)ethyl)tetrahydro-4-hydroxy-2H-pyran-6-one;2-(2-(3-hydroxy-12-(2-methyl-1-oxobutoxy)-5-androstan-17-yl)ethyl)tetrahydro-4-hydroxy-2H-pyran-6-one, (3A,5B,12A(S),23S,25S)-stereoisomer;HOET-PO

Suppliers and Price of Hoet-PO

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 Hoet-PO

Chemical Property:

Vapor Pressure:1.9E-19mmHg at 25°C
Boiling Point:646.6°Cat760mmHg
PKA:13.50±0.40(Predicted)
Flash Point:201.1°C
PSA：104.06000
Density:1.14g/cm³
LogP:4.83110
XLogP3:5.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:11
Exact Mass:518.36073931
Heavy Atom Count:37
Complexity:842

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC(C)C(=O)OC1CC2C(CCC3C2(C=CC(C3)O)C)C4C1(C(CC4)CCC(CC(CC=O)O)O)C
Isomeric SMILES:CCC(C)C(=O)O[C@H]1C[C@H]2[C@@H](CC[C@H]3[C@@]2(C=C[C@H](C3)O)C)[C@H]4[C@]1([C@H](CC4)CC[C@H](C[C@H](CC=O)O)O)C

Technology Process of Hoet-PO

There total 28 articles about Hoet-PO 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:

: 15991-93-2
3α,12α-bis(acetoxy)-5Hβ-pregnan-20-one

: 159014-70-7
2-(R)-<2-<3α-hydroxy-12α-(2-(S)-methyl-1-oxobutoxy)-5β-androstan-17β-yl>ethyl>tetrahydro-4-(R)-hydroxy-2H-pyran-6-one

Guidance literature:: Multi-step reaction with 14 steps

1: 90 percent / NaBH₄ / methanol / 0.5 h / Ambient temperature

2: 95 percent / bis<α,α-bis-(trifluoromethyl)benzenemethanolato>diphenylsulfur / CH2Cl2 / 3 h

3: 80 percent / OsO₄, NaIO₄ / dioxane; H₂O / 2 h

4: 1.) NaH / 1.) THF, RT, 1 h, 2.) THF, 15 min

5: DIBAH / toluene / 1.75 h / -78 - 0 °C

6: 1.) NaH, 2.) n-BuLi

7: 1.) Et₃B, methanol, 2.) NaBH₄ / 1.) THF, 1 h, 2.) THF, 2 h

8: 97 percent / p-toluenesulfonic acid / acetone / 1 h / Ambient temperature

9: 79 percent / pyridine / 7 h / 0 - 20 °C

10: 82 percent / DMAP, pyridine / 7 h

11: 93 percent / p-toluenesulfonic acid monohydrate / H₂O; methanol / 3 h / Ambient temperature

12: 86 percent / H₂ / 5percent Rh on alumina / ethyl acetate / 2 h

13: 1N aq. NaOH / ethanol / 1 h

14: HCl / tetrahydrofuran; diethyl ether / 1 h / Ambient temperature

With pyridine; hydrogenchloride; methanol; dmap; sodium hydroxide; sodium tetrahydroborate; sodium periodate; osmium(VIII) oxide; n-butyllithium; Martins sulfurane; triethyl borane; hydrogen; sodium hydride; diisobutylaluminium hydride; toluene-4-sulfonic acid; rhodium on alumina; In tetrahydrofuran; 1,4-dioxane; methanol; diethyl ether; ethanol; dichloromethane; water; ethyl acetate; acetone; toluene;
DOI:10.1021/jm00046a007

Reference yield:

: 15991-93-2
3α,12α-bis(acetoxy)-5Hβ-pregnan-20-one

: 159014-70-7
2-(S)-<2-<3α-hydroxy-12α-(2-(S)-methyl-1-oxobutoxy)-5β-androstan-17β-yl>ethyl>tetrahydro-4-(S)-hydroxy-2H-pyran-6-one

Guidance literature:: Multi-step reaction with 14 steps

1: 90 percent / NaBH₄ / methanol / 0.5 h / Ambient temperature

2: 95 percent / bis<α,α-bis-(trifluoromethyl)benzenemethanolato>diphenylsulfur / CH2Cl2 / 3 h

3: 80 percent / OsO₄, NaIO₄ / dioxane; H₂O / 2 h

4: 1.) NaH / 1.) THF, RT, 1 h, 2.) THF, 15 min

5: DIBAH / toluene / 1.75 h / -78 - 0 °C

6: 1.) NaH, 2.) n-BuLi

7: 1.) Et₃B, methanol, 2.) NaBH₄ / 1.) THF, 1 h, 2.) THF, 2 h

8: p-toluenesulfonic acid / acetone / 1 h / Ambient temperature

9: pyridine / 7 h / 0 - 20 °C

10: DMAP, pyridine / 7 h

11: p-toluenesulfonic acid monohydrate / H₂O; methanol / 3 h / Ambient temperature

12: H₂ / 5percent Rh on alumina / ethyl acetate / 2 h

13: 1N aq. NaOH / ethanol / 1 h

14: HCl / tetrahydrofuran; diethyl ether / 1 h / Ambient temperature

With pyridine; hydrogenchloride; methanol; dmap; sodium hydroxide; sodium tetrahydroborate; sodium periodate; osmium(VIII) oxide; n-butyllithium; Martins sulfurane; triethyl borane; hydrogen; sodium hydride; diisobutylaluminium hydride; toluene-4-sulfonic acid; rhodium on alumina; In tetrahydrofuran; 1,4-dioxane; methanol; diethyl ether; ethanol; dichloromethane; water; ethyl acetate; acetone; toluene;
DOI:10.1021/jm00046a007

Reference yield:

: 159014-55-8
3α,12α-diacetoxy-17β-ethenyl-5β-androstane

: 159014-70-7
2-(R)-<2-<3α-hydroxy-12α-(2-(S)-methyl-1-oxobutoxy)-5β-androstan-17β-yl>ethyl>tetrahydro-4-(R)-hydroxy-2H-pyran-6-one

Guidance literature:: Multi-step reaction with 12 steps

1: 80 percent / OsO₄, NaIO₄ / dioxane; H₂O / 2 h

2: 1.) NaH / 1.) THF, RT, 1 h, 2.) THF, 15 min

3: DIBAH / toluene / 1.75 h / -78 - 0 °C

4: 1.) NaH, 2.) n-BuLi

5: 1.) Et₃B, methanol, 2.) NaBH₄ / 1.) THF, 1 h, 2.) THF, 2 h

6: 97 percent / p-toluenesulfonic acid / acetone / 1 h / Ambient temperature

7: 79 percent / pyridine / 7 h / 0 - 20 °C

8: 82 percent / DMAP, pyridine / 7 h

9: 93 percent / p-toluenesulfonic acid monohydrate / H₂O; methanol / 3 h / Ambient temperature

10: 86 percent / H₂ / 5percent Rh on alumina / ethyl acetate / 2 h

11: 1N aq. NaOH / ethanol / 1 h

12: HCl / tetrahydrofuran; diethyl ether / 1 h / Ambient temperature

With pyridine; hydrogenchloride; methanol; dmap; sodium hydroxide; sodium tetrahydroborate; sodium periodate; osmium(VIII) oxide; n-butyllithium; triethyl borane; hydrogen; sodium hydride; diisobutylaluminium hydride; toluene-4-sulfonic acid; rhodium on alumina; In tetrahydrofuran; 1,4-dioxane; methanol; diethyl ether; ethanol; water; ethyl acetate; acetone; toluene;
DOI:10.1021/jm00046a007