2,6-Difluorobenzaldehyde

Base Information

• Chemical Name: 2,6-Difluorobenzaldehyde
• CAS No.: 437-81-0
• Molecular Formula: C7H4F2O
• Molecular Weight: 142.105
• Hs Code.: 29130000
• DSSTox Substance ID: DTXSID40195909
• Nikkaji Number: J796.629F
• Wikidata: Q72462373
• Mol file: 437-81-0.mol

Synonyms:2,6-Difluorobenzaldehyde;437-81-0;2,6-difluoro benzaldehyde;Benzaldehyde, 2,6-difluoro-;MFCD00010293;2,6-DIFLUOROBENZALEDEHYDE;2,6-difluorbenzaldehyde;2,6 difluorobenzaldehyde;2, 6-difluorobenzaldehyde;2,6-difluoro-benzaldehyde;2,6-difluorobenzenaldehyde;2.6-difluoro benzaldehyde;2,6-difluoro -benzaldehyde;SCHEMBL95708;2,6-Difluorobenzaldehyde, 98%;DTXSID40195909;CL8251;STL480837;AKOS000120437;AC-2843;CS-W007380;PS-9011;BP-10174;SY003095;A1693;AM20060049;D2452;FT-0610645;EN300-20339;A929267;Q-200210;2,6-Difluorobenzaldehyde, Vetec(TM) reagent grade, 98%;F0001-1198;Z104477798

Chemical Property of 2,6-Difluorobenzaldehyde

Chemical Property:

• Appearance/Colour: clear light yellow to bright yellow liquid
• Vapor Pressure: 0.46mmHg at 25°C
• Melting Point: 15-17 °C(lit.)
• Refractive Index: n20/D 1.502(lit.)
• Boiling Point: 193.6 °C at 760 mmHg
• Flash Point: 73.3 °C
• PSA: 17.07000
• Density: 1.297 g/cm³
• LogP: 1.77730
• Storage Temp.: 2-8°C
• Sensitive.: Air Sensitive
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 142.02302107
• Heavy Atom Count: 10
• Complexity: 117

Purity/Quality:

99% ^*data from raw suppliers

2,6-Difluorobenzaldehyde ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)F)C=O)F
• Uses: 2,6-Difluorobenzaldehyde can be used as a reactant to synthesize: 5-Cyano-6-(2,6-difluorophenyl)-5,6-dihydro-2-thiouracil via one-pot cyclocondensation reaction with ethyl cyanoacetate and thiourea. 1-(2,6-Difluorobenzyl)-2-(2,6-difluorophenyl)-benzimidazole by reacting with 1,2-phenylenediamine in the presence of a catalytic amount of p-toluenesulfonic acid.(3E)-4-(2,6-Difluorophenyl)-3-buten-2-one by Wittig olefination reaction with acetylmethylidenetriphenyl phosphorane.Methyl 4-fluorobenzo[b]thiophene-2-carboxylate by treating with methyl thioglycolate in the presence of K2CO3.

Technology Process of 2,6-Difluorobenzaldehyde

There total 21 articles about 2,6-Difluorobenzaldehyde 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: 94.0%

2,6-dichlorobenzaldehyde (83-38-5) → 2,6-difluorobenzaldehyde (437-81-0)

Guidance literature:

With potassium fluoride; 1-butyl-3-methylimidazolium chloride; at 80 - 170 ℃; for 10h; Electric arc; Large scale;

Reference yield: 94.0%

2,6-difluorophenylacetic acid (85068-28-6) → 2,6-difluorobenzaldehyde (437-81-0)

Guidance literature:

With 1H-imidazole; C₁₇H₁₆ClMnN₂O₂; tetrabutylammonium periodite; In chloroform; at 20 ℃; for 0.333333h;

Reference yield: 92.0%

2,6-difluorobenzyl alcohol (19064-18-7) → 2,6-difluorobenzaldehyde (437-81-0)

Guidance literature:

With dmap; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; copper diacetate; In neat (no solvent); at 25 ℃; for 24h; Green chemistry;

DOI:10.1039/c4ra09851j

upstream raw materials:

2,6-difluorotoluene

1,3-Difluorobenzene

N-methyl-N-phenylformamide

2,6-dichlorobenzaldehyde

Downstream raw materials:

-(2,6-Difluoro-phenyl)-N,N'-bis-[1,3,4]thiadiazol-2-yl-methanediamine

5-(2',6'-difluorobenzylidene)-3-methylbarbituric acid

5-(2',6'-difluorobenzylidene)-3-methylbarbituric acid

(4S,5R)-5-(2,6-difluorophenyl)-2-oxazoline-4-(N,N-dimethyl)carboxamide

Refernces

• 1、 -. "Method for efficiently synthesizing fluorine-containing compound". Paragraph 0071-0073. . Retrieved 2021/06/26.
• 2、 -. "Synthesis of 2, 6 - difluoro phenyl -1 - (4, 5 - [...]) -3 - ketone to make a new method". Paragraph 0040-0044. . Retrieved 2019/04/14.