1-Fluoroazulene

Base Information

• Chemical Name: 1-Fluoroazulene
• CAS No.: 67949-59-1
• Molecular Formula: C10H7F
• Molecular Weight: 146.164
• DSSTox Substance ID: DTXSID60570572
• Nikkaji Number: J677.105J
• Mol file: 67949-59-1.mol

Synonyms:1-Fluoroazulene;67949-59-1;1-Fluoro-azulene;DTXSID60570572

Chemical Property of 1-Fluoroazulene

Chemical Property:

• PSA: 0.00000
• LogP: 2.93050
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 146.053178385
• Heavy Atom Count: 11
• Complexity: 133

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C=CC(=C2C=C1)F

Technology Process of 1-Fluoroazulene

There total 5 articles about 1-Fluoroazulene 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: 89.0%

3-Fluoro-azulene-1-carboxylic acid (180129-06-0) → 1-fluoroazulene (67949-59-1)

Guidance literature:

With trifluoroacetic acid; In benzene; for 36h; Heating;

DOI:10.1246/bcsj.69.1645

Reference yield: 81.0%

methyl 3-fluoroazulene-1-carboxylate (163807-87-2) → 1-fluoroazulene (67949-59-1)

Guidance literature:

With phosphoric acid; at 90 ℃; for 0.133333h;

DOI:10.1246/bcsj.69.1645

Reference yield: 22.0%

azulene (275-51-4) → 1-fluoroazulene (67949-59-1)

Guidance literature:

With xenon difluoride; In dichloromethane; for 0.25h;

DOI:10.1071/C97142

upstream raw materials:

methyl 3-fluoroazulene-1-carboxylate

azulene

3-Fluoro-azulene-1-carboxylic acid

azulene-1-carboxylic acid methyl ester

Downstream raw materials:

3-fluoro-1-formylazulene

1-fluoro-3-methylazulene

3-bromo-1,7-azulenequinone

3-bromo-1,5-azulenequinone

Refernces

• 1、 Le, Van Phuc,Wells, Peter R.. "Synthesis and N.M.R. study of l-, 4-, 5- and 6-fluoroazulenes". . p. 1119 - 1122. Retrieved 2007/10/03.
• 2、 Ueno, Tetsuya,Toda, Haruhiko,Yasunami, Masafumi,Yoshifuji, Masaaki. "The First synthesis of 1-Fluoro- and 1,3-Difluoroazulenes". . p. 169 - 170. Retrieved 2007/10/02.