3-Fluoro-2-methylbenzaldehyde

Base Information

• Chemical Name: 3-Fluoro-2-methylbenzaldehyde
• CAS No.: 147624-13-3
• Molecular Formula: C8H7FO
• Molecular Weight: 138.141
• Hs Code.: 2913000090
• European Community (EC) Number: 628-146-6
• DSSTox Substance ID: DTXSID10381337
• Nikkaji Number: J1.353.823I
• Wikidata: Q72474390
• Mol file: 147624-13-3.mol

Synonyms:3-Fluoro-2-methylbenzaldehyde;147624-13-3;2-methyl-3-fluorobenzaldehyde;3-Fluoro-2-Methyl-Benzaldehyde;BENZALDEHYDE, 3-FLUORO-2-METHYL-;MFCD00075256;SCHEMBL97029;DTXSID10381337;HSUCYMJBFHBMTB-UHFFFAOYSA-N;BCP24589;3-Fluoro-2-methylbenzaldehyde, 98%;AKOS015852973;AC-2832;CS-W002321;PS-9088;SY003067;AM20050244;F1197;FT-0643410;EN300-201565;J-008377;Z1255402882;InChI=1/C8H7FO/c1-6-7(5-10)3-2-4-8(6)9/h2-5H,1H

Chemical Property of 3-Fluoro-2-methylbenzaldehyde

Chemical Property:

• Appearance/Colour: Light yellow powder
• Vapor Pressure: 0.394mmHg at 25°C
• Melting Point: 17 °C
• Refractive Index: n20/D 1.526(lit.)
• Boiling Point: 196.7 °C at 760 mmHg
• Flash Point: 78.4 °C
• PSA: 17.07000
• Density: 1.136 g/cm³
• LogP: 1.94660
• Storage Temp.: 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 138.048093005
• Heavy Atom Count: 10
• Complexity: 124

Purity/Quality:

98%,99%, ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(C=CC=C1F)C=O
• Uses: 3-Fluoro-2-methylbenzaldehyde is used as a reagent in the synthesis of resveratrol derivatives with curcumin moiety as antitubulin agents and potential antitumor agents. 3-Fluoro-2-methylbenzaldehyde is also used in the preparation of indenopyrazine dicarbonitriles as inhibitors of deubiquitinating enzymes. 3-Fluoro-2-methylbenzaldehyde may be used in chemical synthesis.

Technology Process of 3-Fluoro-2-methylbenzaldehyde

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

3-Fluorobenzaldehyde Cyclohexylimine + methyl iodide (74-88-4) → 3-fluoro-2-methylbenzaldehyde (147624-13-3) + 3-Fluoro-2-methylbenzaldehyde Cyclohexylimine

Guidance literature:

With 2,2,6,6-tetramethylpiperidinyl-lithium; In tetrahydrofuran; hexane; for 0.333333h; Yield given. Yields of byproduct given. Title compound not separated from byproducts; -60 deg C to 0 deg C;

DOI:10.1021/jo00061a020

Reference yield:

3-Fluoro-2-methylbenzaldehyde Cyclohexylimine → 3-fluoro-2-methylbenzaldehyde (147624-13-3)

Guidance literature:

With hydrogenchloride; Yield given; Ambient temperature;

DOI:10.1021/jo00061a020

Reference yield: 100.0%

trimethylsilyl cyanide (7677-24-9) + 3-fluoro-2-methylbenzaldehyde (147624-13-3) → amino-(3-fluoro-2-methylphenyl)-acetonitrile (1357266-66-0)

Guidance literature:

3-fluoro-2-methylbenzaldehyde; With titanium(IV) isopropylate; ammonia; In methanol; at 20 ℃; for 1h;

trimethylsilyl cyanide; In methanol; at 20 ℃;

upstream raw materials:

methyl iodide

Downstream raw materials:

1-Fluoro-3-[(Z)-2-(4-methanesulfonyl-phenyl)-vinyl]-2-methyl-benzene

3-fluoro-2-methylcinnamic acid

Refernces