Benzene, 1-fluoro-4-[(methoxymethoxy)methyl]-

Base Information

• Chemical Name: Benzene, 1-fluoro-4-[(methoxymethoxy)methyl]-
• CAS No.: 104620-55-5
• Molecular Formula: C9H11FO2
• Molecular Weight: 170.184
• DSSTox Substance ID: DTXSID30456112
• Nikkaji Number: J1.800.032F
• Wikidata: Q82278331
• Mol file: 104620-55-5.mol

Synonyms:104620-55-5;Benzene, 1-fluoro-4-[(methoxymethoxy)methyl]-;DTXSID30456112;AKOS026669975;1-(Methoxymethoxymethyl)-4-fluorobenzene

Chemical Property of Benzene, 1-fluoro-4-[(methoxymethoxy)methyl]-

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 170.07430775
• Heavy Atom Count: 12
• Complexity: 111

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COCOCC1=CC=C(C=C1)F

Technology Process of Benzene, 1-fluoro-4-[(methoxymethoxy)methyl]-

There total 2 articles about Benzene, 1-fluoro-4-[(methoxymethoxy)methyl]- 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: 96.0%

4-fluorobenzylic alcohol (459-56-3) + Dimethoxymethane (109-87-5) → 1-fluoro-4-[(methoxymethoxy)methyl]benzene (104620-55-5)

Guidance literature:

With tin(IV)octabromotetraphenylporphyrinato trifluoromethanesulfonate; at 20 ℃; for 0.166667h;

DOI:10.1016/j.poly.2009.07.041

Reference yield: 68.0%

4-fluorobenzylic alcohol (459-56-3) + chloromethyl methyl ether (107-30-2) → 1-fluoro-4-[(methoxymethoxy)methyl]benzene (104620-55-5)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 25 ℃; for 2h;

DOI:10.1002/1099-0690(200208)2002:15<2508::AID-EJOC2508>3.0.CO;2-C

Reference yield: 56.0%

carbon dioxide (124-38-9,18923-20-1) + 1-fluoro-4-[(methoxymethoxy)methyl]benzene (104620-55-5) → 2-fluoro-5-(hydroxymethyl)benzoic acid (481075-38-1)

Guidance literature:

1-fluoro-4-[(methoxymethoxy)methyl]benzene; With N,N,N',N'',N'''-pentamethyldiethylenetriamine; sec.-butyllithium; In tetrahydrofuran; cyclohexane; at -75 ℃; for 2h;

carbon dioxide; In tetrahydrofuran; cyclohexane; Further stages.;

DOI:10.1002/1099-0690(200208)2002:15<2508::AID-EJOC2508>3.0.CO;2-C

upstream raw materials:

4-fluorobenzylic alcohol

chloromethyl methyl ether

Dimethoxymethane

Downstream raw materials:

1-(chloromethoxymethyl)-4-fluorobenzene

2-fluoro-5-(hydroxymethyl)benzoic acid

1-<(4'-fluorobenzyloxy)methyl>-2-<(hydroxyimino)methyl>-3-methylimidazolium chloride

(4-fluorophenyl)methoxymethoxymethyltrimethylsilane