2',6'-Difluoro-3'-methylacetophenone

Base Information

• Chemical Name: 2',6'-Difluoro-3'-methylacetophenone
• CAS No.: 261763-31-9
• Molecular Formula: C₉H₈F₂O
• Molecular Weight: 170.159
• Hs Code.: 2914700090
• European Community (EC) Number: 670-746-5
• DSSTox Substance ID: DTXSID70378900
• Wikidata: Q82168486
• Mol file: 261763-31-9.mol

Synonyms:261763-31-9;1-(2,6-difluoro-3-methylphenyl)ethanone;2',6'-difluoro-3'-methylacetophenone;2,6-Difluoro-3-methylacetophenone;Ethanone, 1-(2,6-difluoro-3-methylphenyl)-;1-(2,6-difluoro-3-methylphenyl)ethan-1-one;SCHEMBL697516;DTXSID70378900;BLSXKYBXBXVYJZ-UHFFFAOYSA-N;MFCD01631339;AKOS006228968;JS-4167;1-(2,6-difluoro-3-methyphenyl)-ethanone;1-(2,6-difluoro-3-methyl-phenyl)ethanone;CS-0279425;2',6'-Difluoro-3'-methylacetophenone, 97%;EN300-1857327;A818282;2',6'-Difluoro-3'-methylacetophenone, AldrichCPR

Chemical Property of 2',6'-Difluoro-3'-methylacetophenone

Chemical Property:

• Refractive Index: 1.4845
• Boiling Point: 207°Cat760mmHg
• Flash Point: 77.3°C
• PSA: 17.07000
• Density: 1.168g/cm³
• LogP: 2.47580
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 170.05432120
• Heavy Atom Count: 12
• Complexity: 181

Purity/Quality:

98%Min ^*data from raw suppliers

2',6'-Difluoro-3'-methylacetophenone ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2',6'-Difluoro-3'-methylacetophenone

There total 1 articles about 2',6'-Difluoro-3'-methylacetophenone 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:

2,6-difluoro-3-methylbenzoyl chloride (261763-39-7) + methylmagnesium bromide (75-16-1) → 2,6-difluoro-3-methylacetophenone (261763-31-9)

Guidance literature:

With tributylphosphine; In tetrahydrofuran; at 20 ℃; for 0.666667h;

Reference yield:

2,6-difluoro-3-methylacetophenone (261763-31-9) → 2-bromo-(2',6'-difluoro-3'-methyl)acetophenone (872166-72-8)

Guidance literature:

With tetrabuthylammonium tribromide; In methanol; for 1h; Heating / reflux;

upstream raw materials:

2,6-difluoro-3-methylbenzoyl chloride

methylmagnesium bromide

Downstream raw materials:

2-bromo-(2',6'-difluoro-3'-methyl)acetophenone

Refernces