5-Fluoro-2-methoxybenzaldehyde

Base Information

• Chemical Name: 5-Fluoro-2-methoxybenzaldehyde
• CAS No.: 19415-51-1
• Molecular Formula: C8H7FO2
• Molecular Weight: 154.141
• Hs Code.: 29130000
• DSSTox Substance ID: DTXSID80370591
• Nikkaji Number: J531.428C
• Wikidata: Q72473947
• Mol file: 19415-51-1.mol

Synonyms:5-Fluoro-2-methoxybenzaldehyde;19415-51-1;2-methoxy-5-fluorobenzaldehyde;5-Fluoro-o-anisaldehyde;BENZALDEHYDE, 5-FLUORO-2-METHOXY-;MFCD00143458;5-FLUORO-O-2-METHOXYBENZALDEHYDE;5-fluoro-2-methoxy-benzaldehyde;5-fluoro-o-methoxybenzaldehyde;SCHEMBL273404;2-methoxy-5-fluoro benzaldehyde;DTXSID80370591;CRLDWFVRQNUUSZ-UHFFFAOYSA-N;SC5055;5-Fluoro-2-methoxybenzaldehyde, 96%;AKOS005291221;CS-W005085;PS-8882;SY008065;AM20060041;F0428;FT-0620395;EN300-188793;A813705;J-012575;Z385369864

Chemical Property of 5-Fluoro-2-methoxybenzaldehyde

Chemical Property:

• Appearance/Colour: Pale yellow powder and lumps
• Vapor Pressure: 0.0305mmHg at 25°C
• Melting Point: 41-46 °C(lit.)
• Refractive Index: 1.525
• Boiling Point: 244.385 °C at 760 mmHg
• Flash Point: 98.716 °C
• PSA: 26.30000
• Density: 1.192 g/cm³
• LogP: 1.64680
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Air Sensitive
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 154.04300762
• Heavy Atom Count: 11
• Complexity: 138

Purity/Quality:

98%,99%, ^*data from raw suppliers

5-Fluoro-2-methoxybenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn,Xi
• Statements: 36/37/38-22
• Safety Statements: 37/39-26-36-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)F)C=O
• Uses: 5-Fluoro-2-methoxybenzaldehyde may be used in the synthesis of 5-(5-fluoro-2-methoxyphenyl)imidazolidine-2,4-dione.

Technology Process of 5-Fluoro-2-methoxybenzaldehyde

There total 16 articles about 5-Fluoro-2-methoxybenzaldehyde 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: 92.0%

1-fluoro-4-methoxybenzene (459-60-9) + bis(2-chloromethyl)ether (542-88-1) → 5-fluoro-2-methoxybenzaldehyde (19415-51-1)

Guidance literature:

With titanium tetrachloride; In dichloromethane; for 8h; Ambient temperature;

Reference yield: 90.9%

5-fluoro-2-hydroxybenzaldehyde (347-54-6) + methyl iodide (74-88-4) → 5-fluoro-2-methoxybenzaldehyde (19415-51-1)

Guidance literature:

With potassium carbonate; In acetonitrile; for 3h; Heating / reflux;

Reference yield: 87.0%

2-bromo-4-fluoro-1-methoxybenzene (452-08-4) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 5-fluoro-2-methoxybenzaldehyde (19415-51-1)

Guidance literature:

2-bromo-4-fluoro-1-methoxybenzene; With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 1h; Inert atmosphere;

N,N-dimethyl-formamide; In tetrahydrofuran; at -78 - 20 ℃; for 1h;

upstream raw materials:

N-Formylpiperidine

2-bromo-4-fluoro-1-methoxybenzene

1-fluoro-4-methoxybenzene

bis(2-chloromethyl)ether

Downstream raw materials:

2-(5-fluoro-2-methoxyphenyl)-2-[(trimethylsilyl)oxy]acetonitrile

trans-3-(5-fluoro-2-methoxyphenyl)propenoic acid

5-fluoro-2-hydroxybenzaldehyde

4-(5-fluoro-2-methoxybenzylamino)-N-(quinolin-8-yl)benzamide

Refernces

• 1、 Li, Jiakun,Chen, Junting,Sang, Ruocheng,Ham, Won-Seok,Plutschack, Matthew B.,Berger, Florian,Chabbra, Sonia,Schnegg, Alexander,Genicot, Christophe,Ritter, Tobias. "Photoredox catalysis with aryl sulfonium salts enables site-selective late-stage fluorination". . p. 56 - 62. Retrieved 2019/11/28.
• 2、 Laali, Kenneth K.,Zwarycz, Angela T.,Bunge, Scott D.,Borosky, Gabriela L.,Nukaya, Manabu,Kennedy, Gregory D.. "Deuterated Curcuminoids: Synthesis, Structures, Computational/Docking and Comparative Cell Viability Assays against Colorectal Cancer". . p. 1173 - 1184. Retrieved 2019/05/24.