4-Fluoro-3-methoxybenzaldehyde

Base Information

• Chemical Name: 4-Fluoro-3-methoxybenzaldehyde
• CAS No.: 128495-46-5
• Molecular Formula: C8H7FO2
• Molecular Weight: 154.141
• Hs Code.: 29124990
• DSSTox Substance ID: DTXSID60372013
• Nikkaji Number: J2.637.008F
• Wikidata: Q72473940
• Mol file: 128495-46-5.mol

Synonyms:4-Fluoro-3-methoxybenzaldehyde;128495-46-5;3-methoxy-4-fluorobenzaldehyde;4-Fluoro-m-anisaldehyde;4-fluoro-3-methoxy-benzaldehyde;BENZALDEHYDE, 4-FLUORO-3-METHOXY-;MFCD00143320;SCHEMBL22387;3-methoxy-4-fluoro benzaldehyde;3-methoxy-4-fluoro-benzaldehyde;NALVGTOMKSKFFV-UHFFFAOYSA-;DTXSID60372013;NALVGTOMKSKFFV-UHFFFAOYSA-N;4-fluoro-3-(methyloxy)benzaldehyde;BCP09723;BBL100264;CL8357;STL553830;4-Fluoro-3-methoxybenzaldehyde, 97%;AKOS004911139;AC-1331;CS-W018049;PS-8886;SB18477;SY003349;AM20020369;F0401;FT-0618478;FT-0618479;EN300-117107;F-5700;F0001-0398;Z1203161973;InChI=1/C8H7FO2/c1-11-8-4-6(5-10)2-3-7(8)9/h2-5H,1H3

Chemical Property of 4-Fluoro-3-methoxybenzaldehyde

Chemical Property:

• Appearance/Colour: white solid
• Vapor Pressure: 0.0273mmHg at 25°C
• Melting Point: 58-62 °C
• Refractive Index: 1.525
• Boiling Point: 246.3 °C at 760 mmHg
• Flash Point: 99.8 °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
• XLogP3: 1.7
• 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% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xn,Xi
• Statements: 22-37/38-41-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 4-Fluoro-3-methoxybenzaldehyde

There total 8 articles about 4-Fluoro-3-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: 95.0%

(4-fluoro-3-methoxy-phenyl)methanol (128495-45-4) → 4-fluoro-3-methoxybenzaldehyde (128495-46-5)

Guidance literature:

With pyridinium chlorochromate; In dichloromethane; for 2h;

DOI:10.1021/jm00171a014

Reference yield: 75.0%

N,N-dimethyl-formamide (68-12-2,33513-42-7) + 4-bromo-1-fluoro-2-methoxy-benzene (103291-07-2) → 4-fluoro-3-methoxybenzaldehyde (128495-46-5)

Guidance literature:

4-bromo-1-fluoro-2-methoxy-benzene; With magnesium; In tetrahydrofuran; at 0 - 65 ℃; for 2h;

N,N-dimethyl-formamide; In tetrahydrofuran; at 0 - 20 ℃; for 1h; Temperature;

Reference yield:

vanillin triflate (194018-68-3) → 4-fluoro-3-methoxybenzaldehyde (128495-46-5)

Guidance literature:

With C₅₉H₇₁F₇OPPd⁽¹⁺⁾*CF₃O₃S^(1-); cesium fluoride; In cyclohexane; at 90 ℃; for 18h; Inert atmosphere; Sealed tube;

DOI:10.1021/acs.orglett.7b01082

upstream raw materials:

(4-fluoro-3-methoxy-phenyl)methanol

4?fluoro-3-methoxybenzoic acid

1-fluoro-2-methoxy-4-methylbenzene

2-fluoro-5-methylphenol

Downstream raw materials:

3-(4-fluoro-3-methoxyphenyl)-2-propenoic acid ethyl ester

3-benzyloxy-4-fluorobenzaldehyde

3-benzyloxy-4-N,N-dimethylaminobenzaldehyde

3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzaldehyde

Refernces

• 1、 Ingoglia, Bryan T.,Buchwald, Stephen L.. "Oxidative Addition Complexes as Precatalysts for Cross-Coupling Reactions Requiring Extremely Bulky Biarylphosphine Ligands". supporting information. p. 2853 - 2856. Retrieved 2017/06/07.
• 2、 -. "COMPOUND OF CAMPTOTHECIN AND PREPARATION AND USE THEREOF". Paragraph 0220; 0221. . Retrieved 2015/06/24.