Acetic acid, 2-cyclohexylidene-2-fluoro-

Base Information

• Chemical Name: Acetic acid, 2-cyclohexylidene-2-fluoro-
• CAS No.: 700-62-9
• Molecular Formula: C8H11FO2
• Molecular Weight: 158.173
• European Community (EC) Number: 964-514-5
• Mol file: 700-62-9.mol

Synonyms:Acetic acid, 2-cyclohexylidene-2-fluoro-;2-cyclohexylidene-2-fluoroacetic acid;700-62-9;SCHEMBL10433466;AKOS017532428;EN300-2972204

Chemical Property of Acetic acid, 2-cyclohexylidene-2-fluoro-

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 158.07430775
• Heavy Atom Count: 11
• Complexity: 188

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCC(=C(C(=O)O)F)CC1

Technology Process of Acetic acid, 2-cyclohexylidene-2-fluoro-

There total 6 articles about Acetic acid, 2-cyclohexylidene-2-fluoro- 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: 98.0%

ethyl 2-cyclohexylidene-2-fluoroacetate (55305-86-7) → acide cyclohexylidene-2 fluoro-2 acetique (700-62-9)

Guidance literature:

With potassium hydroxide; In methanol; at 20 ℃; for 8h;

DOI:10.1021/jm0495982

Reference yield:

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → acide cyclohexylidene-2 fluoro-2 acetique (700-62-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: NaH / diethyl ether / 0.08 h / -5 °C

1.2: 81 percent / Wadsworth-Horner-Emmons reagent / diethyl ether / 4 h

2.1: 98 percent / aq. KOH / methanol / 8 h / 20 °C

With potassium hydroxide; sodium hydride; In methanol; diethyl ether;

DOI:10.1021/jm0495982

Reference yield:

1-(trifluoro vinyl) cyclohexanol (702-56-7) → acide cyclohexylidene-2 fluoro-2 acetique (700-62-9)

Guidance literature:

With hydrogenchloride; Heating;

DOI:10.1021/jo01038a063

upstream raw materials:

1-(trifluoro vinyl) cyclohexanol

Cyclohexylidene-fluoro-acetyl fluoride

Dichlorodifluoromethane

(Bis-trimethylsilanyloxy-methylene)-cyclohexane

Downstream raw materials:

cyclohexylid-1-ene 1-fluoro ethan-2-ol

2-cyclohexylidene-2-fluoro-N-phenethyl-acetamide

2-cyclohexylidene-2-fluoro-N-(4-methoxy-benzyl)-acetamide

4-(2-cyclohexylidene-2-fluoro-ethylamino)-piperidine-1-carboxylic acid benzyl ester

Refernces

• 1、 Van Der Veken, Pieter,Senten, Kristel,Kertèsz, István,De Meester, Ingrid,Lambeir, Anne-Marie,Maes, Marie-Berthe,Scharpé, Simon,Haemers, Achiel,Augustyns, Koen. "Fluoro-olefins as peptidomimetic inhibitors of dipeptidyl peptidases". . p. 1768 - 1780. Retrieved 2007/10/03.