2-Fluoro-4-methoxybenzaldehyde

Base Information

• Chemical Name: 2-Fluoro-4-methoxybenzaldehyde
• CAS No.: 331-64-6
• Molecular Formula: C8H7FO2
• Molecular Weight: 154.141
• Hs Code.: 29130000
• European Community (EC) Number: 642-882-5
• DSSTox Substance ID: DTXSID30370546
• Nikkaji Number: J2.390.679A
• Wikidata: Q72473917
• Mol file: 331-64-6.mol

Synonyms:2-Fluoro-4-methoxybenzaldehyde;331-64-6;2-Fluoro-p-anisaldehyde;2-fluoro-4-methoxy-benzaldehyde;2-fluoro-4-methoxy benzaldehyde;Benzaldehyde, 2-fluoro-4-methoxy-;MFCD00236679;2-Fluoro-4-methoxybenzaldehyde, 97%;2-FLUORO-4-METHOXYBENZALDHYDE;2-fluor-4-methoxybenzaldehyd;SCHEMBL245504;UNWQNFJBBWXFBG-UHFFFAOYSA-;DTXSID30370546;UNWQNFJBBWXFBG-UHFFFAOYSA-N;CL8279;AKOS005063672;AC-3838;CS-W001211;PS-8887;BP-20461;SY024311;AM20060043;F0386;FT-0612337;EN300-85920;J-509410;Z1190318848;InChI=1/C8H7FO2/c1-11-7-3-2-6(5-10)8(9)4-7/h2-5H,1H3

Chemical Property of 2-Fluoro-4-methoxybenzaldehyde

Chemical Property:

• Appearance/Colour: white to off-white crystalline solid
• Vapor Pressure: 0.0815mmHg at 25°C
• Melting Point: 43-48 °C(lit.)
• Refractive Index: 1.525
• Boiling Point: 226.5 °C at 760 mmHg
• Flash Point: 88.4 °C
• PSA: 26.30000
• Density: 1.192 g/cm³
• LogP: 1.64680
• Storage Temp.: 2-8°C
• Sensitive.: Air Sensitive
• XLogP3: 1.5
• 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

2-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=CC(=C(C=C1)C=O)F
• Uses: 2-Fluoro-4-methoxybenzaldehyde was used in the synthesis of new analogues as inhibitors for phosphodiesterase 10A. 2-Fluoro-4-methoxybenzaldehyde may be used in the preparation of:fluorine containing 2,4,5-trisubstituted imidazole1-(2-fluoro-4-methoxyphenyl)-2-propanone6-(2-fluoro-4-methoxyphenyl)fulvene10-(2-fluoro-4-methoxyphenyl)-6,7,9,10-tetrahydro-1Hfuro[3,4-b]pyrazolo[3,4-f]quinolin-9-onepolyhydroquinoline (PHQ)3-(2-fluoro-4-methoxyphenyl) acrylic acid methyl ester

Technology Process of 2-Fluoro-4-methoxybenzaldehyde

There total 9 articles about 2-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: 88.0%

sulfur trioxide pyridine complex (26412-87-3) + (2-fluoro-4-methoxyphenyl)methanol (405-09-4) → 2-fluoro-4-methoxy-benzaldehyde (331-64-6)

Guidance literature:

With potassium hydrogensulfate; triethylamine; In dimethyl sulfoxide;

Reference yield: 85.0%

2-fluoro-4-hydroxybenzaldehyde (348-27-6) + methyl iodide (74-88-4) → 2-fluoro-4-methoxy-benzaldehyde (331-64-6)

Guidance literature:

With potassium fluoride; In N,N-dimethyl-formamide; for 18h; Ambient temperature;

DOI:10.1016/0022-1139(94)03085-E

Reference yield:

N-Formylpiperidine (2591-86-8) + 1-fluoro-3-methoxybenzene (456-49-5) → 2-fluoro-4-methoxy-benzaldehyde (331-64-6) + 1-bromo-4-fluoro-2-methoxybenzene (450-88-4) + 4-fluoro-2-methoxybenzaldehyde (450-83-9)

Guidance literature:

Yield given. Multistep reaction;

DOI:10.1002/ardp.19943270903

upstream raw materials:

N-Formylpiperidine

1-fluoro-3-methoxybenzene

2-fluoro-4-hydroxybenzaldehyde

methyl iodide

Downstream raw materials:

2-fluoro-4-methoxy-benzoic acid

C₃₀H₂₆F₂N₂O₄

E-1,3-bis-(2-fluoro-4-methoxyphenyl)-2-propen-1-one

2-(4'-methoxyphenyl)-6-methoxybenzothiophene

Refernces

• 1、 -. "Compositions containing aromatic aldehydes and their use in treatments". . . Retrieved 2008/06/13.
• 2、 Monclus, Michel,Masson, Carine,Luxen, Andre. "Asymmetric synthesis of fluorinated L-tyrosine and meta-L-tyrosines". . p. 39 - 44. Retrieved 2007/10/02.