3,3,4,4,5,5,6,6,6-Nonafluorohexane-1,2-diol

Base Information

• Chemical Name: 3,3,4,4,5,5,6,6,6-Nonafluorohexane-1,2-diol
• CAS No.: 124995-00-2
• Molecular Formula: C₆H₅F₉O₂
• Molecular Weight: 280.09
• DSSTox Substance ID: DTXSID70895268
• Nikkaji Number: J1.080.864B

Synonyms:3,3,4,4,5,5,6,6,6-Nonafluorohexane-1,2-diol;124995-00-2;SCHEMBL8611718;DTXSID70895268;NS00111387

Chemical Property of 3,3,4,4,5,5,6,6,6-Nonafluorohexane-1,2-diol

Chemical Property:

• Vapor Pressure: 0.199mmHg at 25°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 4
• Exact Mass: 280.01458286
• Heavy Atom Count: 17
• Complexity: 271

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O)O

Technology Process of 3,3,4,4,5,5,6,6,6-Nonafluorohexane-1,2-diol

There total 2 articles about 3,3,4,4,5,5,6,6,6-Nonafluorohexane-1,2-diol 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: 76.0%

3,3,4,4,5,5,6,6,6-Nonafluoro-1-hexene (19430-93-4) → 3,3,4,4,5,5,6,6,6-Nonafluoro-1,2-hexanediol (124995-00-2)

Guidance literature:

With cethyltrimethylammonium permanganate; In dichloromethane; a) 0 deg C, 2h, b) r.t., 10h;

DOI:10.1016/S0022-1139(00)82179-X

Reference yield:

(Nonafluoro-n-butyl)epoxide (89807-87-4) → 3,3,4,4,5,5,6,6,6-Nonafluoro-1,2-hexanediol (124995-00-2)

Guidance literature:

With potassium hydroxide; acetic acid; triethylamine; Yield given. Multistep reaction; 1) 80 deg C, 8h, 2) MeOH, reflux, 4h;

DOI:10.1016/S0022-1139(00)82179-X

Reference yield: 83.0%

3,3,4,4,5,5,6,6,6-Nonafluoro-1,2-hexanediol (124995-00-2) + p-toluenesulfonyl chloride (98-59-9) → Toluene-4-sulfonic acid 3,3,4,4,5,5,6,6,6-nonafluoro-2-hydroxy-hexyl ester (135462-65-6)

Guidance literature:

With pyridine; In diethyl ether; at 40 ℃; for 72h;

DOI:10.1080/00397919108019752

upstream raw materials:

3,3,4,4,5,5,6,6,6-Nonafluoro-1-hexene

(Nonafluoro-n-butyl)epoxide

Downstream raw materials:

Toluene-4-sulfonic acid 3,3,4,4,5,5,6,6,6-nonafluoro-2-hydroxy-hexyl ester

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