2-Fluoro-3-methoxybenzaldehyde

Base Information

• Chemical Name: 2-Fluoro-3-methoxybenzaldehyde
• CAS No.: 103438-88-6
• Molecular Formula: C8H7FO2
• Molecular Weight: 154.141
• Hs Code.: 29130000
• European Community (EC) Number: 628-435-7
• DSSTox Substance ID: DTXSID50396248
• Nikkaji Number: J2.981.412K
• Wikidata: Q72473937
• Mol file: 103438-88-6.mol

Synonyms:2-Fluoro-3-methoxybenzaldehyde;103438-88-6;2-fluoro-3-methoxy benzaldehyde;Benzaldehyde, 2-fluoro-3-methoxy-;flouro-3-methoxybenzaldehyde;SCHEMBL8896;2-fluoro-3-methoxy-benzaldehyde;DTXSID50396248;LIHCOUDNHILORI-UHFFFAOYSA-N;CK2106;MFCD03411962;2-Fluoro-3-methoxybenzaldehyde, 97%;AKOS015917491;AB14344;AM84200;PS-8889;CS-0089681;FT-0642531;EN300-115533;J-509372;Z1255373110

Chemical Property of 2-Fluoro-3-methoxybenzaldehyde

Chemical Property:

• Appearance/Colour: White to yellow crystalline solid
• Vapor Pressure: 0.0391mmHg at 25°C
• Melting Point: 47-51 °C(lit.)
• Refractive Index: 1.525
• Boiling Point: 239.909 °C at 760 mmHg
• Flash Point: 96.121 °C
• PSA: 26.30000
• Density: 1.192 g/cm³
• LogP: 1.64680
• Storage Temp.: Keep Cold
• Sensitive.: Air Sensitive
• XLogP3: 1.3
• 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:

97% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 22-37/38-41-43
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=CC=CC(=C1F)C=O
• Uses: 2-Fluoro-3-methoxybenzaldehyde is an intermediate in the synthesis of benzylidene-1,3-thiazolidine-2,4-diones as potent and selective inhibitors of the PIM-1, PIM-2, and PIM-3 protein kinases.

Technology Process of 2-Fluoro-3-methoxybenzaldehyde

There total 8 articles about 2-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: 85.0%

2-fluoro-3,N-dimethoxy-N-methyl-benzamide (693220-47-2) → 2-fluoro-3-methoxybenzaldehyde (103438-88-6)

Guidance literature:

With diisobutylaluminium hydride; In tetrahydrofuran; toluene; at -78 - 20 ℃; for 3.5h;

Reference yield: 69.2%

1-fluoro-2-methoxybenzene (321-28-8) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 2-fluoro-3-methoxybenzaldehyde (103438-88-6)

Guidance literature:

1-fluoro-2-methoxybenzene; With sec.-butyllithium; In tetrahydrofuran; cyclohexane; at -70 ℃; for 1h;

N,N-dimethyl-formamide; In tetrahydrofuran; cyclohexane; at -70 ℃; for 1h;

Reference yield:

2-amino-3-methoxybenzaldehyde dimethyl acetal (103438-87-5) → 3-methoxy-benzaldehyde (591-31-1) + 2-fluoro-3-methoxybenzaldehyde (103438-88-6)

Guidance literature:

With tetrafluoroboric acid; sodium nitrite; Yield given. Multistep reaction; 1.) H₂O, -4 deg C, overnight, 2.) H₂O, irradiation, 5-10 deg C, 4 h;

DOI:10.1021/jm00160a030

upstream raw materials:

1-fluoro-2-methoxybenzene

N,N-dimethyl-formamide

2-amino-3-methoxybenzaldehyde dimethyl acetal

2-fluoro-3,N-dimethoxy-N-methyl-benzamide

Downstream raw materials:

(R)-tert-butyl 1-(2-formyl-6-methoxyphenyl)piperidin-3-ylcarbamate

2-fluoro-3-methoxybenzaldehyde dimethylhydrazone

2-(2-fluoro-3-methoxybenzylidene)-1-(5-bromo-2-chloropyrimidin-4-yl)hydrazine

4-(2-fluoro-3-methoxyphenyl)-6-hydroxy-2-(methylthio)pyrimidine-5-carbonitrile

Refernces

• 1、 -. "BORON-CONTAINING SMALL MOLECULES". Paragraph 0234. . Retrieved 2015/02/19.
• 2、 -. "PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT". Page/Page column 141. . Retrieved 2010/04/25.