2,4-Dimethoxy-1-fluorobenzene

Base Information

• Chemical Name: 2,4-Dimethoxy-1-fluorobenzene
• CAS No.: 17715-70-7
• Molecular Formula: C8H9FO2
• Molecular Weight: 156.157
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID20374316
• Nikkaji Number: J850.891G
• Wikidata: Q82162848
• Mol file: 17715-70-7.mol

Synonyms:17715-70-7;2,4-Dimethoxy-1-fluorobenzene;1-fluoro-2,4-dimethoxybenzene;2,4-Dimethoxyfluorobenzene;Benzene, 1-fluoro-2,4-dimethoxy-;1,3-Dimethoxy-4-fluorobenzene;4-fluoro-3-methoxyanisole;MFCD00042265;4-FLUORO-1,3-DIMETHOXYBENZENE;SCHEMBL2219799;1-fluoro-2,4-dimethoxy-benzene;QLJNEPOEZGFNEA-UHFFFAOYSA-;DTXSID20374316;QLJNEPOEZGFNEA-UHFFFAOYSA-N;BBL103105;STL556915;AKOS005255008;1-Fluoro-2,4-dimethoxybenzene, 97%;FS-1508;AC-26089;CS-0137325;F1139;FT-0600857;A20868;EN300-130388;4-OXO-4-(4-PENTYLOXY-PHENYL)-BUTYRICACID;InChI=1/C8H9FO2/c1-10-6-3-4-7(9)8(5-6)11-2/h3-5H,1-2H3

Chemical Property of 2,4-Dimethoxy-1-fluorobenzene

Chemical Property:

• Vapor Pressure: 0.161mmHg at 25°C
• Refractive Index: 1.471
• Boiling Point: 221.2 °C at 760 mmHg
• Flash Point: 94.3 °C
• PSA: 18.46000
• Density: 1.102 g/cm³
• LogP: 1.84290
• Storage Temp.: Keep Cold
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 156.05865769
• Heavy Atom Count: 11
• Complexity: 119

Purity/Quality:

99.5% ^*data from raw suppliers

1-Fluoro-2,4-dimethoxybenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)F)OC

Technology Process of 2,4-Dimethoxy-1-fluorobenzene

There total 14 articles about 2,4-Dimethoxy-1-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: 78.0%

1,3-Dimethoxybenzene (151-10-0) → 1,3-dimethoxy-4-fluorobenzene (17715-70-7) + 1,5-difluoro-2,4-dimethoxybenzene (79069-70-8)

Guidance literature:

With 1-chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octan*2BF₄; at 85 - 90 ℃;

DOI:10.1016/j.tetlet.2007.02.077

Reference yield: 68.0%

1,3-Dimethoxybenzene (151-10-0) → 1,3-dimethoxy-4-fluorobenzene (17715-70-7)

Guidance literature:

With Selectfluor; In water; acetonitrile; at 50 ℃; for 0.5h;

DOI:10.1021/jo051243i

Reference yield: 66.0%

2,4-dimethoxylbenzyl alcohol (7314-44-5) → 1,3-dimethoxy-4-fluorobenzene (17715-70-7)

Guidance literature:

With caesium fluoroxysulphate; In acetonitrile; for 1h; Ambient temperature;

DOI:10.1039/c39920000274

upstream raw materials:

2,4-dimethoxylbenzyl alcohol

1-(2,4-dimethoxyphenyl)ethan-1-ol

2,4-Dimethoxy-benzhydrol

2,4-dimethoxybenzenediazonium tetrafluoroborate

Downstream raw materials:

6-fluoro-7-hydroxy-2,3-dihydro-4H-chromen-4-one

2,4-dimethoxy-5-fluorobenzaldehyde

6-fluoro-7-methoxy-2-phenylchroman

5-fluoro-2-hydroxy-4-methoxybenzaldehyde

Refernces

• 1、 Stavber, Stojan,Kosir, Iztok,Zupan, Marko. "NEW, MILD, DIRECTED AND HIGH YIELD METHOD FOR THE FLUOROFUNCTIONALISATION OF AROMATIC MOLECULES". . p. 268. Retrieved 1991.
• 2、 Ardila-Fierro, Karen J.,Bari?i?, Dajana,Geneste, Hervé,Hernández, José G.. "Multi-faceted reactivity of N-fluorobenzenesulfonimide (NFSI) under mechanochemical conditions: fluorination, fluorodemethylation, sulfonylation, and amidation reactions". supporting information. p. 182 - 189. Retrieved 2022/03/01.
• 3、 Radomkit, Suttipol,Sarnpitak, Pakornwit,Tummatorn, Jumreang,Batsomboon, Paratchata,Ruchirawat, Somsak,Ploypradith, Poonsakdi. "Pt(IV)-catalyzed generation and [4+2]-cycloaddition reactions of o-quinone methides". supporting information; experimental part. p. 3904 - 3914. Retrieved 2011/06/22.