5-Fluoro-2-methylbenzaldehyde

Base Information

• Chemical Name: 5-Fluoro-2-methylbenzaldehyde
• CAS No.: 22062-53-9
• Molecular Formula: C8H7FO
• Molecular Weight: 138.141
• Hs Code.: 29130000
• European Community (EC) Number: 624-321-6
• DSSTox Substance ID: DTXSID50374602
• Nikkaji Number: J3.152.557H
• Wikidata: Q72474380
• Mol file: 22062-53-9.mol

Synonyms:5-Fluoro-2-methylbenzaldehyde;22062-53-9;5-fluoro-2-methyl-benzaldehyde;BENZALDEHYDE, 5-FLUORO-2-METHYL-;MFCD02261763;SCHEMBL41736;DTXSID50374602;MBOXPKNOGZJXPK-UHFFFAOYSA-N;5-Fluoro-2-methylbenzaldehyde, 96%;AKOS005255016;AC-2840;CS-W011052;PS-9081;SY003083;AM20050170;F0746;FT-0601372;A21276;EN300-127363;J-014458;Z1080470282

Chemical Property of 5-Fluoro-2-methylbenzaldehyde

Chemical Property:

• Appearance/Colour: colorless to light yelow liquid
• Vapor Pressure: 0.378mmHg at 25°C
• Refractive Index: 1.5244
• Boiling Point: 197.5 °C at 760 mmHg
• Flash Point: 79.2 °C
• PSA: 17.07000
• Density: 1.136 g/cm³
• LogP: 1.94660
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Air Sensitive
• 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:

97% ^*data from raw suppliers

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

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)F)C=O

Technology Process of 5-Fluoro-2-methylbenzaldehyde

There total 7 articles about 5-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: 92.0%

(5-fluoro-2-methylphenyl)methanol (22062-54-0) → 5-fluoro-2-methylbenzaldehyde (22062-53-9)

Guidance literature:

With potassium carbonate; In n-heptane; at 80 ℃; for 24h; under 750.075 Torr;

DOI:10.1016/j.chempr.2021.12.001

Reference yield: 85.0%

5-fluoro-2-methylbenzoic acid (33184-16-6) → 5-fluoro-2-methylbenzaldehyde (22062-53-9)

Guidance literature:

With dipotassium hydrogenphosphate; fac-tris(2-phenylpyridinato-N,C₂')iridium(III); tris-(trimethylsilyl)silane; dimethyl dicarbonate; In acetonitrile; at 20 ℃; for 6h; Schlenk technique; Inert atmosphere; Sealed tube; Irradiation;

DOI:10.1039/c7cc05570f

Reference yield:

2-bromo-4-fluorotoluene (1422-53-3) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 5-fluoro-2-methylbenzaldehyde (22062-53-9)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃;

upstream raw materials:

4-fluoro-2-iodotoluene

orthoformic acid triethyl ester

2-bromo-4-fluorotoluene

N,N-dimethyl-formamide

Downstream raw materials:

2-(5-fluoro-2-methylphenyl)-2-trimethylsiloxyethanenitrile

1-Fluoro-7-[(E)-2-(5-fluoro-2-methyl-phenyl)-vinyl]-naphthalene

2,2'-Dimethyl-5,5'-difluor-trans-stilben

(5-fluoro-2-methylphenyl)methanol