3-Fluoro-5-methoxybenzaldehyde

Base Information

• Chemical Name: 3-Fluoro-5-methoxybenzaldehyde
• CAS No.: 699016-24-5
• Molecular Formula: C8H7FO2
• Molecular Weight: 154.1383832
• Hs Code.: 2913000090
• European Community (EC) Number: 642-831-7
• DSSTox Substance ID: DTXSID70444937
• Wikidata: Q72473934
• Mol file: 699016-24-5.mol

Synonyms:3-Fluoro-5-methoxybenzaldehyde;699016-24-5;5-FLUORO-3-METHOXYBENZALDEHYDE;MFCD08741376;BENZALDEHYDE, 3-FLUORO-5-METHOXY-;3'-FLUORO-5'-METHOXYBENZALDEHYDE;SCHEMBL2600019;DTXSID70444937;CL8328;AKOS005257633;AB48770;CS-W008289;PS-8883;SY030524;3-Amino-N-(2-fluorophenyl)propionic acid;AM20050085;FT-0718752;EN300-174980;A836689;J-512527;Z1255387605

Chemical Property of 3-Fluoro-5-methoxybenzaldehyde

Chemical Property:

• Melting Point: 24-29℃
• Boiling Point: 216.065 °C at 760 mmHg
• Flash Point: 82.299 °C
• PSA: 26.30000
• Density: 1.192 g/cm³
• LogP: 1.64680
• Storage Temp.: Store under Nitrogen
• 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%,99%, ^*data from raw suppliers

3-Fluoro-5-Methoxybenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Fluoro-5-methoxybenzaldehyde

There total 2 articles about 3-Fluoro-5-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:

1-bromo-3-fluoro-5-methoxybenzene (29578-39-0) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 3-fluoro-5-methoxybenzaldehyde (699016-24-5)

Guidance literature:

1-bromo-3-fluoro-5-methoxybenzene; With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 0.5h;

N,N-dimethyl-formamide; In tetrahydrofuran; at -78 ℃; for 1.5h;

Reference yield:

3-(1,1,1,3,5,5,5-heptamethyltrisiloxan-3-yl)-5-methoxybenzaldehyde (1583286-12-7) → 3-fluoro-5-methoxybenzaldehyde (699016-24-5)

Guidance literature:

With potassium hydrogen difluoride; copper(II) bis(trifluoromethanesulfonate); In acetonitrile; at 65 ℃; for 16h; Glovebox; Inert atmosphere; Sealed tube;

DOI:10.1002/chem.201905040

upstream raw materials:

1-bromo-3-fluoro-5-methoxybenzene

N,N-dimethyl-formamide

3-(1,1,1,3,5,5,5-heptamethyltrisiloxan-3-yl)-5-methoxybenzaldehyde

Refernces

• 1、 -. "Macrocyclic compounds and methods for their production". Page/Page column 39; 40. . Retrieved 2015/11/10.
• 2、 -. "Novel Dosage Form". Paragraph 0262; 0263. . Retrieved 2014/09/03.