3beta,17-Dihydroxy-16alpha-methylpregn-5-en-20-one

Base Information

Chemical Name:3beta,17-Dihydroxy-16alpha-methylpregn-5-en-20-one
CAS No.:4927-26-8
Molecular Formula:C22H34O3
Molecular Weight:346.51
Hs Code.:
European Community (EC) Number:225-557-9
NSC Number:63321
DSSTox Substance ID:DTXSID60197748
Nikkaji Number:J262.527J
Wikidata:Q83070525
Mol file:4927-26-8.mol

Synonyms:4927-26-8;3beta,17-Dihydroxy-16alpha-methylpregn-5-en-20-one;EINECS 225-557-9;MLS002693428;(3beta,16alpha)-3,17-dihydroxy-16-methylpregn-5-en-20-one;NSC63321;1-[(3S,8R,9S,10R,13S,14S,16R,17R)-3,17-dihydroxy-10,13,16-trimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone;SCHEMBL9627279;DTXSID60197748;BBL030601;NSC 63321;NSC-63321;STK801837;AKOS005622532;VS-09917;1-[(1R,2R,3aS,3bR,7S,9aR,9bS,11aS)-1,7-dihydroxy-2,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]ethan-1-one

Suppliers and Price of 3beta,17-Dihydroxy-16alpha-methylpregn-5-en-20-one

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
1-((3S,8R,9S,10R,13S,14S,16R,17R)-3,17-DIHYDROXY-10,13,16-TRIMETHYL-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-YL)ETHANONE 95.00%
5MG
$ 495.12

Total 9 raw suppliers

Chemical Property of 3beta,17-Dihydroxy-16alpha-methylpregn-5-en-20-one

Chemical Property:

Melting Point:253-255 °C
Boiling Point:483.9°Cat760mmHg
PKA:13.04±0.70(Predicted)
Flash Point:260.6°C
PSA：57.53000
Density:1.13g/cm³
LogP:3.87620
XLogP3:3.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:346.25079494
Heavy Atom Count:25
Complexity:625

Purity/Quality:

99% ^*data from raw suppliers

1-((3S,8R,9S,10R,13S,14S,16R,17R)-3,17-DIHYDROXY-10,13,16-TRIMETHYL-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-YL)ETHANONE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1CC2C3CC=C4CC(CCC4(C3CCC2(C1(C(=O)C)O)C)C)O
Isomeric SMILES:C[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@H](CC[C@@]4([C@H]3CC[C@@]2([C@]1(C(=O)C)O)C)C)O

Technology Process of 3beta,17-Dihydroxy-16alpha-methylpregn-5-en-20-one

There total 12 articles about 3beta,17-Dihydroxy-16alpha-methylpregn-5-en-20-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: 85.0%

: 1249-66-7
17α-hydroxy-16α-methyl-20-oxopregn-5-en-3β-yl acetate

: 4927-26-8
3β-hydroxy-16α-methyl-17α-hydroxy-5-pregnen-20-one

Guidance literature:: With sodium hydroxide; In methanol; at 20 ℃; for 12h;

Reference yield:

: 979-02-2
16-dehydropregnenolone acetate

: 4927-26-8
3β-hydroxy-16α-methyl-17α-hydroxy-5-pregnen-20-one

Guidance literature:: Multi-step reaction with 5 steps

1: CuBr*SMe₂; HMPA / tetrahydrofuran / -78 °C

2: CuBr*SMe₂; HMPA / tetrahydrofuran / 12 h / -61 - -55 °C

3: MCPBA; KHCO₃ / CH₂Cl₂ / 0.25 h / 0 °C

4: aq. HCl / tetrahydrofuran / 0.25 h / 20 °C / pH 1

5: 85 percent / aq. NaOH / methanol / 12 h / 20 °C

With hydrogenchloride; N,N,N,N,N,N-hexamethylphosphoric triamide; sodium hydroxide; copper(I) bromide dimethylsulfide complex; potassium hydrogencarbonate; 3-chloro-benzenecarboperoxoic acid; In tetrahydrofuran; methanol; dichloromethane;

Reference yield:

: C₂₇H₄₄O₄Si

: 4927-26-8
3β-hydroxy-16α-methyl-17α-hydroxy-5-pregnen-20-one

Guidance literature:: Multi-step reaction with 2 steps

1: aq. HCl / tetrahydrofuran / 0.25 h / 20 °C / pH 1

2: 85 percent / aq. NaOH / methanol / 12 h / 20 °C

With hydrogenchloride; sodium hydroxide; In tetrahydrofuran; methanol;