4-Fluoro-3-methylbenzaldehyde

Base Information

• Chemical Name: 4-Fluoro-3-methylbenzaldehyde
• CAS No.: 135427-08-6
• Molecular Formula: C8H7FO
• Molecular Weight: 138.141
• Hs Code.: 29130000
• European Community (EC) Number: 670-735-5
• DSSTox Substance ID: DTXSID90370547
• Nikkaji Number: J2.987.711D
• Wikidata: Q72474408
• Mol file: 135427-08-6.mol

Synonyms:4-Fluoro-3-methylbenzaldehyde;135427-08-6;Benzaldehyde, 4-fluoro-3-methyl-;3-METHYL-4-FLUOROBENZALDEHYDE;MFCD01631431;4-Fluoro-3-Methyl benzaldehyde;4-fluoro-3-methyl-benzaldehyde;4-FLUORO-M-TOLUALDEHYDE;4-FLUORO-3- METHYLBENZALDEHYDE;SCHEMBL336067;3-methyl-4-fluoro benzaldehyde;DTXSID90370547;NRFKZFFVTGGEQF-UHFFFAOYSA-N;BBL103749;STL557559;4-Fluoro-3-methylbenzaldehyde, 97%;AKOS005254609;AC-3847;AM61761;CS-W007668;PS-9082;SY017835;F0791;FT-0618541;EN300-61152;J-006695;J-515354;F0001-0459;Z732814060;InChI=1/C8H7FO/c1-6-4-7(5-10)2-3-8(6)9/h2-5H,1H

Chemical Property of 4-Fluoro-3-methylbenzaldehyde

Chemical Property:

• Appearance/Colour: yellow-greenish liquid or low melting solid
• Vapor Pressure: 5.16E-06mmHg at 25°C
• Refractive Index: n20/D 1.522(lit.)
• Boiling Point: 203.564 °C at 760 mmHg
• Flash Point: 85.808 °C
• PSA: 17.07000
• Density: 1.136 g/cm³
• LogP: 1.94660
• Storage Temp.: Refrigerator (+4°C)
• Sensitive.: Air Sensitive
• Water Solubility.: Slightly soluble in water.
• XLogP3: 2.4
• 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

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)C=O)F
• Uses: 4-Fluoro-3-methylbenzaldehyde is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dye stuff field.

Technology Process of 4-Fluoro-3-methylbenzaldehyde

There total 7 articles about 4-Fluoro-3-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: 84.0%

trifluoromethanesulfonic acid 4-formyl-2-methylphenyl ester (716344-13-7) → 4-fluoro-3-methylbenzaldehyde (135427-08-6)

Guidance literature:

With [COD(Pd-AlPhos)₂]; cesium fluoride; In toluene; at 20 ℃; for 96h; Solvent; Inert atmosphere; Glovebox; Sealed tube;

DOI:10.1021/jacs.5b09308

Reference yield: 61.0%

→ 4-fluoro-3-methylbenzaldehyde (135427-08-6)

Guidance literature:

Reference yield:

5-bromo-2-fluorotoluene (51437-00-4) + orthoformic acid triethyl ester (122-51-0) → 4-fluoro-3-methylbenzaldehyde (135427-08-6)

Guidance literature:

5-bromo-2-fluorotoluene; With magnesium; iodine; In diethyl ether;

orthoformic acid triethyl ester; In diethyl ether;

With sulfuric acid; water;

upstream raw materials:

5-bromo-2-fluorotoluene

N,N-dimethyl-formamide

dihydroxy-methyl-borane

3-bromo-4-fluorobenzaldehyde

Downstream raw materials:

tert-butyl (E)-3-(3-fluoro-4-methylphenyl)acrylate

ethyl 3-(4'-fluoro-3'-methylphenyl)-2-propenoate

Refernces

• 1、 -. "Compounds". Page/Page column 41. . Retrieved 2009/08/14.
• 2、 -. "Method for producing halogen-substituted aromatic aldehyde". Page/Page column 5-6. . Retrieved 2008/06/13.