2,4-Difluoro-5-methylbenzaldehyde

Base Information

• Chemical Name: 2,4-Difluoro-5-methylbenzaldehyde
• CAS No.: 315204-36-5
• Molecular Formula: C8H6 F2 O
• Molecular Weight: 156.132
• Hs Code.: 2913000090
• European Community (EC) Number: 642-827-5
• DSSTox Substance ID: DTXSID50572909
• Wikidata: Q82461421
• Mol file: 315204-36-5.mol

Synonyms:2,4-Difluoro-5-methylbenzaldehyde;315204-36-5;MFCD12196967;Benzaldehyde, 2,4-difluoro-5-methyl-;Benzaldehyde, 2,4-difluoro-5-methyl- (9CI);SCHEMBL365835;DTXSID50572909;LYSSOMVTHYLRAM-UHFFFAOYSA-N;CL9351;AKOS005259676;CS-W007000;JS-5242;A875879

Chemical Property of 2,4-Difluoro-5-methylbenzaldehyde

Chemical Property:

• Boiling Point: 199.0±35.0 °C(Predicted)
• PSA: 17.07000
• Density: 1.241±0.06 g/cm3(Predicted)
• LogP: 2.08570
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 156.03867113
• Heavy Atom Count: 11
• Complexity: 149

Purity/Quality:

99% ^*data from raw suppliers

2,4-Difluoro-5-methylbenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1F)F)C=O

Technology Process of 2,4-Difluoro-5-methylbenzaldehyde

There total 3 articles about 2,4-Difluoro-5-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: 87.0%

N-Formylpiperidine (2591-86-8) + C7H5BrF2Mg → 2,4-difluoro-5-methylbenzaldehyde (315204-36-5)

Guidance literature:

In tetrahydrofuran; diethyl ether; at 25 ℃; for 0.5h;

DOI:10.1080/15257770008033850

Reference yield: 45.0%

tert-butylisonitrile (119072-55-8,7188-38-7) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 2,4-difluoro-5-methylbenzaldehyde (315204-36-5)

Guidance literature:

With magnesium; In tetrahydrofuran; at 0 ℃;

DOI:10.1039/b007455l

Reference yield: 45.0%

N,N-dimethyl-formamide (68-12-2,33513-42-7) + 1-bromo-2,4-difluoro-5-methylbenzene (159277-47-1) → 2,4-difluoro-5-methylbenzaldehyde (315204-36-5)

Guidance literature:

1-bromo-2,4-difluoro-5-methylbenzene; With iodine; magnesium; In tetrahydrofuran; at 20 ℃; for 1h;

N,N-dimethyl-formamide; In tetrahydrofuran; at 0 - 20 ℃; for 4.75h;

upstream raw materials:

N-Formylpiperidine

tert-butylisonitrile

N,N-dimethyl-formamide

1-bromo-2,4-difluoro-5-methylbenzene

Downstream raw materials:

4-[4-chloro-3-(trifluoromethyl)phenoxy]-2-fluoro-5-methylbenzaldehyde

5-(2,4-difluoro-5-methyl-benzyloxy)-2-phenyl-[1,3]dioxane

1-(bromomethyl)-2,4-difluoro-5-methylbenzene

2,4-difluoro-5-methylphenethylamine

Refernces

• 1、 Wang, Zhi-Xian,Duan, Weili,Wiebe, Leonard I.,De Clercq, Erik,Balzarini, Jan,Knaus, Edward E.. "Syntheses of 1-[(2-hydroxyethoxy)methyl]- and 1-[(1,3-Dihydroxy-2-propoxy)methyl]- derivatives of 5-substituted-2,4-Difluorobenzene: Unnatural acyclo thymidine mimics for evaluation as anticancer and antiviral agents". . p. 1397 - 1411. Retrieved 2007/10/03.