6-(Octylsulfanyl)benzo[cd]indol-2-ol

Base Information

• Chemical Name: 6-(Octylsulfanyl)benzo[cd]indol-2-ol
• CAS No.: 6559-11-1
• Molecular Formula: C₆H₁₂O₃
• Molecular Weight: 132.159
• DSSTox Substance ID: DTXSID50984169
• Wikidata: Q82971305

Synonyms:6559-11-1;DTXSID50984169;6-(Octylsulfanyl)benzo[cd]indol-2-ol;AKOS001017847;Z56811608

Chemical Property of 6-(Octylsulfanyl)benzo[cd]indol-2-ol

Chemical Property:

• Vapor Pressure: 7.2E-07mmHg at 25°C
• XLogP3: 6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 313.15003553
• Heavy Atom Count: 22
• Complexity: 372

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCSC1=C2C=CC=C3C2=C(C=C1)NC3=O

Technology Process of 6-(Octylsulfanyl)benzo[cd]indol-2-ol

There total 5 articles about 6-(Octylsulfanyl)benzo[cd]indol-2-ol 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:

3,4-dihydro-2H-pyran (110-87-2) + methanol (67-56-1) → trans-3-hydroxy-2-methoxytetrahydropyran (6559-02-0) + cis-3-Hydroxy-2-methoxytetrahydropyran (6559-11-1)

Guidance literature:

With NaA zeolite; dihydrogen peroxide; titanium(IV) isopropylate; at 49.84 ℃; for 2.5h;

DOI:10.1039/b705244h

Reference yield:

cis-3-<<(p-Nitrophenyl)sulfonyl>oxy>-2-methoxytetrahydropyran (86728-57-6) → cis-3-Hydroxy-2-methoxytetrahydropyran (6559-11-1)

Guidance literature:

With sodium naphthalenide; 1.) THF, -78 deg C, 5 min, 2.) 5 min, room temp.;

DOI:10.1021/jo00167a030

Reference yield:

2,3-dihydroxytetrahydropyran (86728-74-7) + methanol (67-56-1) → trans-3-hydroxy-2-methoxytetrahydropyran (6559-02-0) + cis-3-Hydroxy-2-methoxytetrahydropyran (6559-11-1)

Guidance literature:

With methanesulfonic acid; 1.) reflux, 90 min, 2.) room temp., overnight;

DOI:10.1021/jo00167a030

upstream raw materials:

2,3-dihydroxytetrahydropyran

methanol

cis-3-<<(p-Nitrophenyl)sulfonyl>oxy>-2-methoxytetrahydropyran

3,4-dihydro-2H-pyran

Downstream raw materials:

cis-3-<<(p-Nitrophenyl)sulfonyl>oxy>-2-methoxytetrahydropyran

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