6-Chloro-2-fluoro-3-methylbenzaldehyde

Base Information

• Chemical Name: 6-Chloro-2-fluoro-3-methylbenzaldehyde
• CAS No.: 286474-59-7
• Molecular Formula: C8H6ClFO
• Molecular Weight: 172.586
• Hs Code.: 29130000
• European Community (EC) Number: 670-702-5
• DSSTox Substance ID: DTXSID50361491
• Wikidata: Q72450889
• Mol file: 286474-59-7.mol

Synonyms:6-Chloro-2-fluoro-3-methylbenzaldehyde;286474-59-7;Benzaldehyde, 6-chloro-2-fluoro-3-methyl-;6-Chloro-2-fluoro-m-tolualdehyde;MFCD01631370;6-Chloro-2-Fluoro-3-Methyl-Benzaldehyde;SCHEMBL534700;DTXSID50361491;AKOS005258320;AS-35868;CS-0166660;FT-0621030;6-chloranyl-2-fluoranyl-3-methyl-benzaldehyde;6-Chloro-2-fluoro-3-methylbenzaldehyde, 98%;A819518;J-017180

Chemical Property of 6-Chloro-2-fluoro-3-methylbenzaldehyde

Chemical Property:

• Vapor Pressure: 0.0811mmHg at 25°C
• Refractive Index: n20/D 1.548(lit.)
• Boiling Point: 249 ºC
• Flash Point: 110 ºC
• PSA: 17.07000
• Density: 1.30
• LogP: 2.60000
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Air Sensitive
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 172.0091207
• Heavy Atom Count: 11
• Complexity: 151

Purity/Quality:

99% ^*data from raw suppliers

6-Chloro-2-fluoro-3-methylbenzaldehyde ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 6-Chloro-2-fluoro-3-methylbenzaldehyde

There total 1 articles about 6-Chloro-2-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: 94.0%

4-chloro-2-fluorotoluene (452-75-5) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 6-chloro-2-fluoro-3-methylbenzaldehyde (286474-59-7)

Guidance literature:

4-chloro-2-fluorotoluene; With lithium diisopropyl amide; In tetrahydrofuran; at -78 ℃; for 0.5h;

N,N-dimethyl-formamide; In tetrahydrofuran; at -78 ℃; for 0.25h;

Reference yield: 73.0%

6-chloro-2-fluoro-3-methylbenzaldehyde (286474-59-7) → 6-chloro-2-fluoro-3-methylphenyl-methanol (261762-84-9)

Guidance literature:

With methanol; C₂₅H₂₉ClNO₂Rh; caesium carbonate; at 90 ℃; for 1h;

DOI:10.1039/c8cc06612d

Reference yield: 47.0%

6-chloro-2-fluoro-3-methylbenzaldehyde (286474-59-7) + [[3-(ethoxycarbonyl)-5-isoxazolyl]methyl]triphenylphosphonium bromide (52679-09-1) → 5-[(E)-2-(6-chloro-2-fluoro-3-methylphenyl)ethenyl]-3-isoxazolecarboxylic acid ethyl ester (1189360-33-5)

Guidance literature:

[[3-(ethoxycarbonyl)-5-isoxazolyl]methyl]triphenylphosphonium bromide; With sodium hexamethyldisilazane; In tetrahydrofuran; at -78 ℃;

6-chloro-2-fluoro-3-methylbenzaldehyde; In tetrahydrofuran; at -78 - 20 ℃;

DOI:10.1021/jm900513a

upstream raw materials:

4-chloro-2-fluorotoluene

N,N-dimethyl-formamide

Downstream raw materials:

5-[(E)-2-(6-chloro-2-fluoro-3-methylphenyl)ethenyl]-3-isoxazolecarboxylic acid ethyl ester

6-chloro-2-fluoro-3-methylbenzonitrile

6-chloro-2-fluoro-3-methylphenyl-methanol

Refernces

• 1、 -. "(AZA)PYRIDOPYRAZOLOPYRIMIDINONES AND INDAZOLOPYRIMIDINONES AS INHIBITORS OF FIBRINOLYSIS". Page/Page column 153. . Retrieved 2015/05/26.