(E)-7-[1-(benzenesulfonyl)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-5-(dimethylamino)cyclopentyl]hept-5-enenitrile

Base Information

• Chemical Name: (E)-7-[1-(benzenesulfonyl)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-5-(dimethylamino)cyclopentyl]hept-5-enenitrile
• CAS No.: 85453-26-5
• Molecular Formula: C40H70N2O4SSi2
• Molecular Weight: 731.2308
• NSC Number: 370790
• DSSTox Substance ID: DTXSID20420468

Synonyms:NSC370790;85453-26-5;DTXSID20420468;NSC-370790

Chemical Property of (E)-7-[1-(benzenesulfonyl)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-5-(dimethylamino)cyclopentyl]hept-5-enenitrile

Chemical Property:

• Vapor Pressure: 1.28E-20mmHg at 25°C
• Boiling Point: 720.7°Cat760mmHg
• Flash Point: 389.6°C
• Density: 1.02g/cm³
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 20
• Exact Mass: 730.45948296
• Heavy Atom Count: 49
• Complexity: 1230

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(C=CC1C(CC(C1(CC=CCCCC#N)S(=O)(=O)C2=CC=CC=C2)N(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
• Isomeric SMILES: CCCCCC(/C=C/C1C(CC(C1(C/C=C/CCCC#N)S(=O)(=O)C2=CC=CC=C2)N(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C

Technology Process of (E)-7-[1-(benzenesulfonyl)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-5-(dimethylamino)cyclopentyl]hept-5-enenitrile

There total 2 articles about (E)-7-[1-(benzenesulfonyl)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-5-(dimethylamino)cyclopentyl]hept-5-enenitrile 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:

(Z)-7-Bromo-hept-5-enenitrile (85453-24-3) + (S,E)-3-t-butyldimethylsilyloxy-1-lithio-1-octene (41138-68-5) + (1S,4R)-cis-4-(tert-Butyldimethylsiloxy)-1-(dimethylamino)-2-(phenylsulfonyl)-2-cyclopentene (77493-70-0) → (1S,2S,3S,4R)-cis-4-(tert-Butyldimethylsiloxy)-trans-3-<(E,S)-3'-(tert-butyldimethylsiloxy)-1'-octenyl>-1-(dimethylamino)-trans-2-(phenylsulfonyl)cyclopentane (77494-46-3) + (Z)-7-{(1S,2S,3R,5S)-1-Benzenesulfonyl-3-(tert-butyl-dimethyl-silanyloxy)-2-[(E)-(S)-3-(tert-butyl-dimethyl-silanyloxy)-oct-1-enyl]-5-dimethylamino-cyclopentyl}-hept-5-enenitrile (85548-78-3) + (Z)-7-{(1R,2S,3R,5S)-1-Benzenesulfonyl-3-(tert-butyl-dimethyl-silanyloxy)-2-[(E)-(S)-3-(tert-butyl-dimethyl-silanyloxy)-oct-1-enyl]-5-dimethylamino-cyclopentyl}-hept-5-enenitrile (85453-26-5)

Guidance literature:

Yield given. Multistep reaction. Yields of byproduct given;

DOI:10.1021/jo00161a010

Reference yield:

(Z)-7-Bromo-hept-5-enenitrile (85453-24-3) + (S,E)-3-t-butyldimethylsilyloxy-1-lithio-1-octene (41138-68-5) + (1S,4R)-cis-4-(tert-Butyldimethylsiloxy)-1-(dimethylamino)-2-(phenylsulfonyl)-2-cyclopentene (77493-70-0) → (1S,2S,3S,4R)-cis-4-(tert-Butyldimethylsiloxy)-trans-3-<(E,S)-3'-(tert-butyldimethylsiloxy)-1'-octenyl>-1-(dimethylamino)-trans-2-(phenylsulfonyl)cyclopentane (77494-46-3) + (1S,2R,3S,4R)-cis-4-(tert-Butyldimethylsiloxy)-trans-3-<(E,S)-3'-(tert-butyldimethylsiloxy)-1'-octenyl>-1-(dimethylamino)-cis-2-(phenylsulfonyl)cyclopentane (77520-22-0) + (Z)-7-{(1S,2S,3R,5S)-1-Benzenesulfonyl-3-(tert-butyl-dimethyl-silanyloxy)-2-[(E)-(S)-3-(tert-butyl-dimethyl-silanyloxy)-oct-1-enyl]-5-dimethylamino-cyclopentyl}-hept-5-enenitrile (85548-78-3) + (Z)-7-{(1R,2S,3R,5S)-1-Benzenesulfonyl-3-(tert-butyl-dimethyl-silanyloxy)-2-[(E)-(S)-3-(tert-butyl-dimethyl-silanyloxy)-oct-1-enyl]-5-dimethylamino-cyclopentyl}-hept-5-enenitrile (85453-26-5)

Guidance literature:

Yield given. Multistep reaction. Yields of byproduct given;

DOI:10.1021/jo00161a010

Reference yield: 95.0%

(Z)-7-{(1R,2S,3R,5S)-1-Benzenesulfonyl-3-(tert-butyl-dimethyl-silanyloxy)-2-[(E)-(S)-3-(tert-butyl-dimethyl-silanyloxy)-oct-1-enyl]-5-dimethylamino-cyclopentyl}-hept-5-enenitrile (85453-26-5) + 2,2,2-Trichloroethyl chloroformate (17341-93-4) → [(1S,2R,3S,4R)-2-Benzenesulfonyl-4-(tert-butyl-dimethyl-silanyloxy)-3-[(E)-(S)-3-(tert-butyl-dimethyl-silanyloxy)-oct-1-enyl]-2-((Z)-6-cyano-hex-2-enyl)-cyclopentyl]-methyl-carbamic acid 2,2,2-trichloro-ethyl ester (85453-53-8)

Guidance literature:

With sodium hydrogencarbonate; In dichloromethane; at 25 ℃; for 72h;

DOI:10.1021/jo00161a010

upstream raw materials:

(Z)-7-Bromo-hept-5-enenitrile

(S,E)-3-t-butyldimethylsilyloxy-1-lithio-1-octene

(1S,4R)-cis-4-(tert-Butyldimethylsiloxy)-1-(dimethylamino)-2-(phenylsulfonyl)-2-cyclopentene

Downstream raw materials:

[(1S,2R,3S,4R)-2-Benzenesulfonyl-4-(tert-butyl-dimethyl-silanyloxy)-3-[(E)-(S)-3-(tert-butyl-dimethyl-silanyloxy)-oct-1-enyl]-2-((Z)-6-cyano-hex-2-enyl)-cyclopentyl]-methyl-carbamic acid 2,2,2-trichloro-ethyl ester

(Z)-7-{(1R,2S,3R,5S)-1-Benzenesulfonyl-3-(tert-butyl-dimethyl-silanyloxy)-2-[(E)-(S)-3-(tert-butyl-dimethyl-silanyloxy)-oct-1-enyl]-5-methylamino-cyclopentyl}-hept-5-enenitrile

(Z)-7-{(1R,2S,3R,5S)-1-Benzenesulfonyl-3-(tert-butyl-dimethyl-silanyloxy)-2-[(E)-(S)-3-(tert-butyl-dimethyl-silanyloxy)-oct-1-enyl]-5-methylamino-cyclopentyl}-hept-5-enoic acid amide

[(1S,2R,3S,4R)-2-Benzenesulfonyl-4-(tert-butyl-dimethyl-silanyloxy)-3-[(E)-(S)-3-(tert-butyl-dimethyl-silanyloxy)-oct-1-enyl]-2-((Z)-6-carbamoyl-hex-2-enyl)-cyclopentyl]-methyl-carbamic acid 2,2,2-trichloro-ethyl ester

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