4-Fluoro-2-methoxybenzaldehyde

Base Information

• Chemical Name: 4-Fluoro-2-methoxybenzaldehyde
• CAS No.: 450-83-9
• Molecular Formula: C8H7FO2
• Molecular Weight: 154.141
• Hs Code.: 29124990
• DSSTox Substance ID: DTXSID40379085
• Wikidata: Q72473930
• Mol file: 450-83-9.mol

Synonyms:4-Fluoro-2-methoxybenzaldehyde;450-83-9;2-methoxy-4-fluorobenzaldehyde;4-Fluoro-2-methoxy-benzaldehyde;Benzaldehyde, 4-fluoro-2-methoxy-;4-Fluoro-o-anisaldehyde;MFCD00143318;Fluoromethoxybenzaldehyde4;SCHEMBL365682;4-fluoro-2-methoxybenzal dehyde;DTXSID40379085;PTKRQIRPNNIORO-UHFFFAOYSA-N;CL8353;AKOS006229845;AC-3841;AM61987;CS-W018054;PS-8884;SY022944;4-Fluoro-2-methoxybenzaldehyde, AldrichCPR;A7116;F0827;FT-0618456;EN300-120668;Z1201619310

Chemical Property of 4-Fluoro-2-methoxybenzaldehyde

Chemical Property:

• Vapor Pressure: 0.0905mmHg at 25°C
• Melting Point: 55 °C
• Refractive Index: 1.525
• Boiling Point: 224.6 °C at 760 mmHg
• Flash Point: 87.2 °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
• Solubility.: soluble in Methanol
• 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-2-methoxy-benzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-52-41-37/38-22
• Safety Statements: 26-36-39

MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)F)C=O
• Uses: 4-Fluoro-2-methoxy-benzaldehyde is used in the synthesis of imidazopyridazinones acting as novel PDE7 inhibitors for application towards Parkinson’s disease treatment.

Technology Process of 4-Fluoro-2-methoxybenzaldehyde

There total 8 articles about 4-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: 94.0%

4-fluoro-1-iodo-2-methoxybenzene (450-90-8) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 4-fluoro-2-methoxybenzaldehyde (450-83-9)

Guidance literature:

4-fluoro-1-iodo-2-methoxybenzene; With isopropylmagnesium chloride; In tetrahydrofuran; at -10 ℃; for 0.5h; Inert atmosphere;

N,N-dimethyl-formamide; In tetrahydrofuran; for 0.5h;

Reference yield: 86.0%

4-fluoro-2-hydroxybenzaldehyde (348-28-7) + methyl iodide (74-88-4) → 4-fluoro-2-methoxybenzaldehyde (450-83-9)

Guidance literature:

With potassium carbonate; In acetone; for 24h; Heating;

DOI:10.1021/ol702274y

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:

4-fluoro-2-hydroxybenzaldehyde

dimethyl sulfate

N-Formylpiperidine

1-fluoro-3-methoxybenzene

Downstream raw materials:

4-fluoro-2-methoxy-benzoic acid

(4-fluoro-2-methoxyphenyl)methanol

α-(4-fluoro-2-methoxyphenyl)-N-t-butylnitrone

(+/-)-10-[(4-fluoro-2-methoxy-phenyl)-hydroxy-methyl]-2-pyrimidin-4-yl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one