1-(Dimethoxymethyl)-2-fluorobenzene

Base Information

• Chemical Name: 1-(Dimethoxymethyl)-2-fluorobenzene
• CAS No.: 90470-67-0
• Molecular Formula: C9H11FO2
• Molecular Weight: 170.18100
• Hs Code.: 2911000000
• European Community (EC) Number: 689-409-9
• DSSTox Substance ID: DTXSID00465579
• Nikkaji Number: J2.898.411A
• Wikidata: Q82291632
• Mol file: 90470-67-0.mol

Synonyms:2-Fluorobenzaldehyde dimethyl acetal;90470-67-0;1-(Dimethoxymethyl)-2-fluorobenzene;SCHEMBL9019981;DTXSID00465579;GHRDHBIBFZLUJM-UHFFFAOYSA-N;2-Fluorobenzaldehyde dimethylacetal;2-Fluorobenzaldehyde dimethyl acetal, 97%

Chemical Property of 1-(Dimethoxymethyl)-2-fluorobenzene

Chemical Property:

• Flash Point: 72℃
• PSA: 18.46000
• Density: 1.105 g/mL at 25 °C
• LogP: 2.11710
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 170.07430775
• Heavy Atom Count: 12
• Complexity: 126

Purity/Quality:

99% ^*data from raw suppliers

2-Fluorobenzaldehyde dimethyl acetal 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(C1=CC=CC=C1F)OC

Technology Process of 1-(Dimethoxymethyl)-2-fluorobenzene

There total 3 articles about 1-(Dimethoxymethyl)-2-fluorobenzene 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: 93.0%

methanol (67-56-1) + 2-Fluorobenzaldehyde (446-52-6) → α,α-dimethoxy-o-fluorotoluene (90470-67-0)

Guidance literature:

With thio-xanthene-9-one; for 1.5h; Irradiation; Sealed tube; Green chemistry;

DOI:10.1039/c8gc03605e

Reference yield:

2-Fluorobenzaldehyde (446-52-6) + trimethyl orthoformate (149-73-5) → α,α-dimethoxy-o-fluorotoluene (90470-67-0)

Guidance literature:

With toluene-4-sulfonic acid; In methanol; water; for 24h; Reflux;

DOI:10.1021/ol400894j

Reference yield:

→ α,α-dimethoxy-o-fluorotoluene (90470-67-0)

Guidance literature:

upstream raw materials:

methanol

2-Fluorobenzaldehyde

trimethyl orthoformate

Downstream raw materials:

ethyl 3-(2-fluorophenyl)-2-nitropropanoate

ethyl 3-(2-fluorophenyl)-2-nitroacrylate

methyl 4-(2-fluorophenyl)-5-cyano-2-hydroxy-6-phenyl-3,4-dihydro-2H-pyran-2-carboxylate

(E)-methyl 4-(2-fluorophenyl)-2-oxobut-3-enoate

Refernces

• 1、 Nikitas, Nikolaos F.,Triandafillidi, Ierasia,Kokotos, Christoforos G.. "Photo-organocatalytic synthesis of acetals from aldehydes". supporting information. p. 669 - 674. Retrieved 2019/02/14.
• 2、 Gagnot, Glwadys,Hervin, Vincent,Coutant, Eloi P.,Desmons, Sarah,Baatallah, Racha,Monnot, Victor,Janin, Yves L.. "Synthesis of unnatural α-amino esters using ethyl nitroacetate and condensation or cycloaddition reactions". supporting information. p. 2846 - 2852. Retrieved 2018/11/27.