3b,5-Dihydroxy-6b,7b:15b,16b-dimethylene-5b-androstan-17-one

Base Information

• Chemical Name: 3b,5-Dihydroxy-6b,7b:15b,16b-dimethylene-5b-androstan-17-one
• CAS No.: 82543-16-6
• Molecular Formula: C21H30O3
• Molecular Weight: 330.467
• European Community (EC) Number: 617-347-4
• Nikkaji Number: J2.667.862E
• Mol file: 82543-16-6.mol

Synonyms:82543-16-6;3b,5-Dihydroxy-6b,7b:15b,16b-dimethylene-5b-androstan-17-one;3b,5b-Dihydroxy-6b,7b,15b,16b-dimethylene-5b-androst-17-one;3beta,5-Dihydroxy-6beta,7beta;15beta,16beta-dimethylene-5beta-androstan-17-one;(1R,2R,4R,5R,7S,10R,11S,14S,16S,18S,19S)-5,7-dihydroxy-10,14-dimethylhexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadecan-15-one;6beta,7beta,15beta,16beta-Dimethylene-3beta,5beta-dihydroxyandrostan-17-one;(2S,4aR,4bS,6aS,7aS,8aS,8bS,8cR,8dR,9aR,9bR)-2,9b-Dihydroxy-4a,6a-dimethylhexadecahydro-1H-cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthren-7(7aH)-one;EC 617-347-4;SCHEMBL13936420;MFCD09952196;AKOS025311213;(3S,5R,6R,7R,8R,9S,10R,13S,14S,15S, 16S)-Octadecahydro-3,5-dihydroxy-10,13-dimethyl-17H-dicyclopropa(6,7:15,16)cyclopenta(a)phenanthren-17-one;AC-28721;AS-13047;C76643;Q-102812;3?,5?-dihydroxy-6?,7?;15?,16?-dimethylene-androst-17-one;6?,7?,15?,16?-Dimethylene-3?,5?-dihydroxyandrostan-17-one;6b,7b,15b,16b-dimethylene-3b,5b-dihydroxyandrostan-17-one;7b-hydroxy-15b,16b-methylene-3b-pivaloyloxy-5 androsten-17-one;6|A,7|A,15|A,16|A-Dimethylene-3|A,5|A-dihydroxyandrostan-17-one;3Beta,5-dihydroxy-6beta,7beta15beta,16beta-dimethylene-5beta-androstan-17-one;3beta,5beta-Dihydroxy-6beta,7beta;15beta,16beta-dimethylene-5beta-androst-17-one;(1R,2R,4R,5R,7S,10R,11S,14S,16S,18S,19S)-5,7-DIHYDROXY-10,14-DIMETHYLHEXACYCLO[9.8.0.0(2),?.0?,(1)?.0(1)?,(1)?.0(1)?,(1)?]NONADECAN-15-ONE;(2S,4aR,4bS,6aS,7aS,9aS,9bR,9cR,11aS)-2,11a-Dihydroxy-4a,6a-dimethyloctadecahydro-7H-cyclobuta[4,5]cyclopenta[1,2-a]phenanthren-7-on e

Chemical Property of 3b,5-Dihydroxy-6b,7b:15b,16b-dimethylene-5b-androstan-17-one

Chemical Property:

• Appearance/Colour: white solid
• Vapor Pressure: 4.37E-11mmHg at 25°C
• Melting Point: 205-207 °C
• Refractive Index: 1.583
• Boiling Point: 478.278 °C at 760 mmHg
• PKA: 14.59±0.70(Predicted)
• Flash Point: 257.163 °C
• PSA: 57.53000
• Density: 1.286 g/cm³
• LogP: 2.78580
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 330.21949481
• Heavy Atom Count: 24
• Complexity: 645

Purity/Quality:

99% ^*data from raw suppliers

3b,5-Dihydroxy-6b,7b:15b,16b-dimethylene-5b-androstan-17-one 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC(CC1(C3CC3C4C2CCC5(C4C6CC6C5=O)C)O)O
• Isomeric SMILES: C[C@]12CC[C@@H](C[C@]1([C@@H]3C[C@@H]3[C@@H]4[C@@H]2CC[C@]5([C@H]4[C@@H]6C[C@@H]6C5=O)C)O)O
• Uses: Intermediate of Drospirenone Intermediate of Drospirenone.

Technology Process of 3b,5-Dihydroxy-6b,7b:15b,16b-dimethylene-5b-androstan-17-one

There total 8 articles about 3b,5-Dihydroxy-6b,7b:15b,16b-dimethylene-5b-androstan-17-one 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: 88.0%

diiodomethane (75-11-6) + 3β,5-dihydroxy-15β,16β-methylene-5β-androst-6-en-17-one (82543-15-5) → (2S,4aR,4bS,6aS,7aS,8aS,8bS,8cR,8dR,9aR,9bR)-2,9b-dihydroxy-4a,6a-dimethyloctadecahydro-7H-cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthren-7-one (82543-16-6)

Guidance literature:

With copper; zinc; In 1,2-dimethoxyethane; at 55 ℃; for 5h;

Reference yield: 71.0%

3β,5-dihydroxy-15β,16β-methylene-5β-androst-6-en-17-one (82543-15-5) + 1,1-dibromomethane (74-95-3) → (2S,4aR,4bS,6aS,7aS,8aS,8bS,8cR,8dR,9aR,9bR)-2,9b-dihydroxy-4a,6a-dimethyloctadecahydro-7H-cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthren-7-one (82543-16-6)

Guidance literature:

With acetic acid; copper(I) bromide; zinc; In 1,2-dimethoxyethane; isopropyl alcohol; at 72 - 75 ℃; for 1h;

Reference yield:

3β-hydorxy-15β,16β-methylene androst-5-ene-17-one (67372-65-0) → (2S,4aR,4bS,6aS,7aS,8aS,8bS,8cR,8dR,9aR,9bR)-2,9b-dihydroxy-4a,6a-dimethyloctadecahydro-7H-cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthren-7-one (82543-16-6)

Guidance literature:

Multi-step reaction with 7 steps

1: 55 percent / Botryodiplodia malorum / 40 h

2: 65 percent / dimethylaminopyridine / pyridine / 72 h / Ambient temperature

3: 98 percent / tert-butylhydroperoxide, VO(C₅H₇O₂)2 / toluene / 2 h / 80 °C

4: 79 percent / P(C₆H₅)3 / CCl₄; CH₂Cl₂; pyridine / 2 h / 0 deg C to room temp.

5: 75 percent / Zn / acetic anhydride; tetrahydrofuran / 1.5 h / 70 °C

6: 94 percent / KOH, NaClO₄ / tetrahydrofuran; methanol / 2.5 h / Ambient temperature

7: 88 percent / Zn/Cu / 1,2-dimethoxy-ethane / 5 h / 55 °C

With tert.-butylhydroperoxide; dmap; potassium hydroxide; Botryodiplodia malorum; VO(C₅H₇O₂)2; sodium perchlorate; copper; triphenylphosphine; zinc; In tetrahydrofuran; pyridine; methanol; tetrachloromethane; 1,2-dimethoxyethane; dichloromethane; acetic anhydride; toluene;

upstream raw materials:

diiodomethane

3β,5-dihydroxy-15β,16β-methylene-5β-androst-6-en-17-one

3β-hydorxy-15β,16β-methylene androst-5-ene-17-one

3β,7β-dihydroxy-15β,16β-methylene-5-androsten-17-one

Downstream raw materials:

6β,7β;15β,16β-dimethylene-17α-(3-benzyloxypropynyl)androstane-3β,5β,17β-triol

17α-(3-hydroxy-1-propinyl)-6β,7β;15β,16β-dimethylene-5β-androstane-3β,5,17β-triol

C₃₀H₄₈O₄Si

Spirorenone

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