Dinosterol

Base Information

• Chemical Name: Dinosterol
• CAS No.: 58670-63-6
• Molecular Formula: C₃₀H₅₂O
• Molecular Weight: 428.742
• UNII: 91FGT6HJ59
• DSSTox Substance ID: DTXSID901030126
• Nikkaji Number: J1.454.723A
• Wikipedia: Dinosterol
• Wikidata: Q5278698
• Mol file: 58670-63-6.mol

Synonyms:dinosterol

Chemical Property of Dinosterol

Chemical Property:

• Vapor Pressure: 4.2E-12mmHg at 25°C
• Melting Point: 220-222°; mp 211-214° (Shu, Djerassi)
• Boiling Point: 500.3°Cat760mmHg
• PKA: 15.16±0.70(Predicted)
• Flash Point: 222.3°C
• PSA: 20.23000
• Density: 0.946g/cm³
• LogP: 8.12670
• XLogP3: 9.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 428.401816278
• Heavy Atom Count: 31
• Complexity: 678

Purity/Quality:

99% ^*data from raw suppliers

DINOSTEROL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2CCC3C4CCC(C4(CCC3C2(CCC1O)C)C)C(C)C=C(C)C(C)C(C)C
• Isomeric SMILES: C[C@H]1[C@@H]2CC[C@H]3[C@@H]4CC[C@@H]([C@]4(CC[C@@H]3[C@]2(CC[C@@H]1O)C)C)[C@H](C)/C=C(\C)/[C@H](C)C(C)C

Technology Process of Dinosterol

There total 9 articles about Dinosterol 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: 94.0%

tert-Butyl-dimethyl-[(3S,4S,5S,8S,9S,10R,13R,14S,17R)-4,10,13-trimethyl-17-((E)-(1R,4R)-1,3,4,5-tetramethyl-hex-2-enyl)-hexadecahydro-cyclopenta[a]phenanthren-3-yloxy]-silane (81393-43-3) → dinosterol (58670-63-6)

Guidance literature:

With lithium tetrafluoroborate; In dichloromethane; acetonitrile; at 65 ℃; for 12h;

DOI:10.1016/S0040-4039(01)82998-1

Reference yield:

(S)-2-[(3S,4S,5S,8S,9S,10R,13S,14S,17R)-3-(tert-Butyl-dimethyl-silanyloxy)-4,10,13-trimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl]-propan-1-ol (81393-33-1) → dinosterol (58670-63-6)

Guidance literature:

Multi-step reaction with 8 steps

1: Pyr_.Dichr_. / CH₂Cl₂ / Ambient temperature

2: 1.) n-BuLi / 1.) -60 deg C, 2.) -78 deg C

3: 2.) LiBF₄ / 1.) EtCOOH / 1.) 110 deg C, 3 h 2.) CH₂Cl₂, CH₃CN, 65 deg C, 12 h

4: 90 percent / imidazole / CH₂Cl₂; dimethylformamide / 12 h / 50 °C

5: 85 percent / LiAlH₄ / diethyl ether / Ambient temperature; By tritium or deuterium analog of LiAlH₄ the corresponding labelled compound can be prepared.

6: Et₃N / CH₂Cl₂ / 0.25 h / 0 °C

7: LiAlH₄ / diethyl ether / Ambient temperature; By tritium or deuterium analog of LiAlH₄ the corresponding labelled compound can be prepared.

8: 94 percent / LiBF₄ / CH₂Cl₂; acetonitrile / 12 h / 65 °C

With 1H-imidazole; lithium aluminium tetrahydride; lithium tetrafluoroborate; n-butyllithium; Pyr_.Dichr; triethylamine; propionic acid; In diethyl ether; dichloromethane; N,N-dimethyl-formamide; acetonitrile;

DOI:10.1016/S0040-4039(01)82998-1

Reference yield:

(S)-2-[(3S,4S,5S,8S,9S,10R,13S,14S,17R)-3-(tert-Butyl-dimethyl-silanyloxy)-4,10,13-trimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl]-propionaldehyde (81393-37-5) → dinosterol (58670-63-6)

Guidance literature:

Multi-step reaction with 7 steps

1: 1.) n-BuLi / 1.) -60 deg C, 2.) -78 deg C

2: 2.) LiBF₄ / 1.) EtCOOH / 1.) 110 deg C, 3 h 2.) CH₂Cl₂, CH₃CN, 65 deg C, 12 h

3: 90 percent / imidazole / CH₂Cl₂; dimethylformamide / 12 h / 50 °C

4: 85 percent / LiAlH₄ / diethyl ether / Ambient temperature; By tritium or deuterium analog of LiAlH₄ the corresponding labelled compound can be prepared.

5: Et₃N / CH₂Cl₂ / 0.25 h / 0 °C

6: LiAlH₄ / diethyl ether / Ambient temperature; By tritium or deuterium analog of LiAlH₄ the corresponding labelled compound can be prepared.

7: 94 percent / LiBF₄ / CH₂Cl₂; acetonitrile / 12 h / 65 °C

With 1H-imidazole; lithium aluminium tetrahydride; lithium tetrafluoroborate; n-butyllithium; triethylamine; propionic acid; In diethyl ether; dichloromethane; N,N-dimethyl-formamide; acetonitrile;

DOI:10.1016/S0040-4039(01)82998-1

upstream raw materials:

tert-Butyl-dimethyl-[(3S,4S,5S,8S,9S,10R,13R,14S,17R)-4,10,13-trimethyl-17-((E)-(1R,4R)-1,3,4,5-tetramethyl-hex-2-enyl)-hexadecahydro-cyclopenta[a]phenanthren-3-yloxy]-silane

(S)-2-[(3S,4S,5S,8S,9S,10R,13S,14S,17R)-3-(tert-Butyl-dimethyl-silanyloxy)-4,10,13-trimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl]-propan-1-ol

(S)-2-[(3S,4S,5S,8S,9S,10R,13S,14S,17R)-3-(tert-Butyl-dimethyl-silanyloxy)-4,10,13-trimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl]-propionaldehyde

t-Butyldimethylsilyl ether of 4α-methyl-5α-dihydrostigmasterol

Downstream raw materials:

4α,23ξ,24ξ-trimethylcholestan-3β-ol

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