3-Fluoro-4-methoxybenzaldehyde

Base Information

• Chemical Name: 3-Fluoro-4-methoxybenzaldehyde
• CAS No.: 351-54-2
• Molecular Formula: C8H7FO2
• Molecular Weight: 154.141
• Hs Code.: 29130000
• European Community (EC) Number: 206-514-3
• UNII: K2CG7GUS9W
• DSSTox Substance ID: DTXSID20188596
• Nikkaji Number: J35C
• Wikidata: Q72473921
• Mol file: 351-54-2.mol

Synonyms:3-Fluoro-4-methoxybenzaldehyde;351-54-2;3-Fluoro-p-anisaldehyde;3-fluoro-4-anisaldehyde;Benzaldehyde, 3-fluoro-4-methoxy-;3-fluoro-4-methoxy-benzaldehyde;MFCD00003349;K2CG7GUS9W;3-fluoro-4-methoxy benzaldehyde;EINECS 206-514-3;3-Fluoroanisaldehyde;3-fluoro-anisaldehyde;UNII-K2CG7GUS9W;3-Fluoro-para-anisaldehyde;p-Anisaldehyde, 3-fluoro-;3-fluoro4-methoxybenzaldehyde;SCHEMBL435689;4-methoxy-3-fluorobenzaldehyde;3-fluoro-4-methoxybenz aldehyde;3--Fluoro-4-methoxybenzaldehyde;SOQCZBSZZLWDGU-UHFFFAOYSA-;DTXSID20188596;3-Fluoro-4-methoxybenzaldehyde #;CK2105;3-Fluoro-4-methoxybenzaldehyde, 99%;AKOS000260496;CS-W007614;PS-8885;UPCMLD0ENAT5395994:001;AC-14095;SY004508;A6176;AM20060040;F0480;FT-0615688;EN300-13952;J-512491;Z94599216

Chemical Property of 3-Fluoro-4-methoxybenzaldehyde

Chemical Property:

• Appearance/Colour: white to light yellow low melting crystalline mass
• Vapor Pressure: 0.000619mmHg at 25°C
• Melting Point: 34-35 °C(lit.)
• Refractive Index: 1.608
• Boiling Point: 247.1 °C at 760 mmHg
• Flash Point: 100.3 °C
• PSA: 26.30000
• Density: 1.192 g/cm³
• LogP: 1.64680
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Sensitive.: Air Sensitive
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• 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:

99% ^*data from raw suppliers

3-Fluoro-4-methoxybenzaldehyde ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C=O)F
• Uses: 3-Fluoro-4-methoxybenzaldehyde is a useful reagent in the synthesis of resveratrol derivatives as potent inhibitors of lysine specific demethylase 1 (LSD1), a therapeutic target for cancer treatment and other related diseases. Also a reagent for the synthesis of substituted pyrazolyl piperidine derivatives as antiplatelet agents with antiplatelet aggregation activity in the human body.

Technology Process of 3-Fluoro-4-methoxybenzaldehyde

There total 19 articles about 3-Fluoro-4-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: 93.0%

dichloromethyl propyl ether (65611-08-7) + 1-fluoro-2-methoxybenzene (321-28-8) → 3-fluoro-p-anisaldehyde (351-54-2)

Guidance literature:

With iron(III) chloride; In dichloromethane; at 20 ℃; for 0.533333h; Reagent/catalyst; Cooling with ice;

DOI:10.1248/cpb.c19-00176

Reference yield: 90.0%

3-fluoro-4-methoxybenzyl alcohol (96047-32-4) → 3-fluoro-p-anisaldehyde (351-54-2)

Guidance literature:

With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; C₂₈H₂₂CuN₂O₁₀S₂^(2-)*2Na⁽¹⁺⁾; oxygen; potassium carbonate; In water; at 20 ℃; for 10h;

DOI:10.1002/aoc.3473

Reference yield: 87.0%

3-fluoro-4-hydroxybenzaldehyde (405-05-0) + methyl iodide (74-88-4) → 3-fluoro-p-anisaldehyde (351-54-2)

Guidance literature:

3-fluoro-4-hydroxybenzaldehyde; With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 0.0833333h;

methyl iodide; In N,N-dimethyl-formamide; at 70 ℃; for 3.5h;

DOI:10.1021/acs.jmedchem.9b01526

upstream raw materials:

3-fluoro-4-methoxybenzyl chloride

2-fluoro-1-methoxy-4-methylbenzene

3-fluoro-4-methoxybenzonitrile

3-fluoro-4-methoxybenzyl bromide

Downstream raw materials:

4-((Z)-3-fluoro-4-methoxy-benzylidene)-2-phenyl-4H-oxazol-5-one

N-(4-Chloro-5-{[1-(3-fluoro-4-methoxy-phenyl)-meth-(E)-ylidene]-amino}-6-methylamino-pyrimidin-2-yl)-acetamide

2-[1-(3-Fluoro-4-methoxy-phenyl)-meth-(Z)-ylidene]-4,5,6-trimethoxy-benzofuran-3-one

E-2-(3',4',5'-trimethylphenyl)-3-(3''-fluoro-4''-methoxyphenyl)prop-2-enoic acid

Refernces

• 1、 -. "COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF TUMORS". Page/Page column 89-90. . Retrieved 2021/06/22.
• 2、 Warashina, Takuya,Matsuura, Daisuke,Kimura, Yoshikazu. "Direct formylation of fluorine-containing aromatics with dichloromethyl alkyl ethers". . p. 587 - 593. Retrieved 2019/07/22.