Cycloheptanol, trifluoroacetate

Base Information

• Chemical Name: Cycloheptanol, trifluoroacetate
• CAS No.: 777-58-2
• Molecular Formula: C₉H₁₃F₃O₂
• Molecular Weight: 210.196
• DSSTox Substance ID: DTXSID401239802
• Nikkaji Number: J1.102.729F
• Mol file: 777-58-2.mol

Synonyms:Cycloheptanol, trifluoroacetate;777-58-2;DTXSID401239802;Acetic acid, 2,2,2-trifluoro-, cycloheptyl ester

Chemical Property of Cycloheptanol, trifluoroacetate

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 210.08676414
• Heavy Atom Count: 14
• Complexity: 193

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCCC(CC1)OC(=O)C(F)(F)F

Technology Process of Cycloheptanol, trifluoroacetate

There total 2 articles about Cycloheptanol, trifluoroacetate 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:

cycloheptane (291-64-5) + carbon monoxide (201230-82-2) + trifluoroacetic acid (76-05-1) → cycloheptanoic acid (1460-16-8) + cycloheptyl trifluoroacetate (777-58-2)

Guidance literature:

With dipotassium peroxodisulfate; magnesium; at 80 ℃; for 30h; under 38000 Torr;

DOI:10.1246/cl.1999.449

Reference yield:

C10H13F3O4 → cyclohexylmethyl trifluoroacetate (164071-20-9) + cycloheptyl trifluoroacetate (777-58-2)

Guidance literature:

In trifluoroacetic acid; at -20 ℃; Product distribution;

DOI:10.1016/S0040-4039(02)02151-2

upstream raw materials:

cycloheptane

carbon monoxide

trifluoroacetic acid