6-Fluoro-2-methyl-4-chromanone

Base Information

• Chemical Name: 6-Fluoro-2-methyl-4-chromanone
• CAS No.: 88754-96-5
• Molecular Formula: C10H9FO2
• Molecular Weight: 180.179
• Hs Code.: 2932999099
• European Community (EC) Number: 670-967-7
• DSSTox Substance ID: DTXSID60372033
• Nikkaji Number: J208.531C
• Mol file: 88754-96-5.mol

Synonyms:6-Fluoro-2-methyl-4-chromanone;88754-96-5;6-fluoro-2-methylchroman-4-one;6-fluoro-2-methyl-2,3-dihydrochromen-4-one;SCHEMBL1984847;DTXSID60372033;RPAIBTVEPAACRP-UHFFFAOYSA-N;MFCD00059072;AKOS015853321;FS-1183;CS-0314473;F0271;FT-0621117;D90653;A842871;6-Fluoro-2,3-dihydro-2-methyl-4H-1-benzopyran-4-one;6-fluoro-2-methyl-3,4-dihydro-2H-1-benzopyran-4-one;6-Fluoro-2-methyl-2,3-dihydro-4H-chromen-4-one, AldrichCPR

Chemical Property of 6-Fluoro-2-methyl-4-chromanone

Chemical Property:

• Melting Point: 71 °C
• Boiling Point: 121.7 °C
• Flash Point: 284 °C at 760 mmHg
• PSA: 26.30000
• Density: 1.217 g/cm³
• LogP: 2.17940
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 180.05865769
• Heavy Atom Count: 13
• Complexity: 217

Purity/Quality:

98% ^*data from raw suppliers

6-Fluoro-2-methyl-4-chromanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22-51

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC(=O)C2=C(O1)C=CC(=C2)F

Technology Process of 6-Fluoro-2-methyl-4-chromanone

There total 6 articles about 6-Fluoro-2-methyl-4-chromanone 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: 32.0%

2N-sodium hydroxide + 4-Fluorophenol (371-41-5) + (E)-but-2-enoic acid (107-93-7) → 6-fluoro-2-methyl-4-chromanone (88754-96-5)

Guidance literature:

In PPA;

Reference yield:

4-Fluorophenol (371-41-5) + (E)-but-2-enoic acid (107-93-7) → 6-fluoro-2-methyl-4-chromanone (88754-96-5)

Guidance literature:

With PPA; In hexane; dichloromethane;

Reference yield:

pyrrolidine (123-75-1) + 1-(5-fluoro-2-hydroxyphenyl)ethan-1-one (394-32-1) + acetaldehyde (75-07-0,9002-91-9) → 6-fluoro-2-methyl-4-chromanone (88754-96-5)

Guidance literature:

With hydrogenchloride; In benzene;

upstream raw materials:

2-butenoic acid

4-Fluorophenol

1-(5-fluoro-2-hydroxyphenyl)ethan-1-one

acetaldehyde

Downstream raw materials:

C₁₂H₁₁FN₂O₃

C₁₂H₁₁FN₂O₃

((2R,4R)-6-Fluoro-4-hydroxy-2-methyl-chroman-4-yl)-acetic acid ethyl ester

(2R,4S)-6-fluoro-2-methylspiro[chroman-4,4’-imidazolidine]-2’,5’-dione