3'-Fluoro-4'-methylacetophenone

Base Information

• Chemical Name: 3'-Fluoro-4'-methylacetophenone
• CAS No.: 42444-14-4
• Molecular Formula: C9H9FO
• Molecular Weight: 152.168
• Hs Code.: 2914700090
• European Community (EC) Number: 670-266-6
• DSSTox Substance ID: DTXSID40379101
• Wikidata: Q82168762
• Mol file: 42444-14-4.mol

Synonyms:3'-Fluoro-4'-methylacetophenone;42444-14-4;1-(3-fluoro-4-methylphenyl)ethanone;3-Fluoro-4-methylacetophenone;1-(3-fluoro-4-methylphenyl)ethan-1-one;SCHEMBL1926473;DTXSID40379101;XAMNMGLEJNLUIH-UHFFFAOYSA-N;MFCD01631411;AKOS009157680;FS-1094;CS-0093746;FT-0647717;3'-Fluoro-4'-methylacetophenone, AldrichCPR;EN300-99634;F87339;A872885;Z513735432

Chemical Property of 3'-Fluoro-4'-methylacetophenone

Chemical Property:

• Melting Point: 31-34oC
• Boiling Point: 217.5oC at 760 mmHg
• Flash Point: 83.4oC
• PSA: 17.07000
• Density: 1.075g/cm3
• LogP: 2.33670
• Storage Temp.: 2-8°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 152.063743068
• Heavy Atom Count: 11
• Complexity: 156

Purity/Quality:

98%min ^*data from raw suppliers

3''-Fluoro-4''-methylacetophenone ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3'-Fluoro-4'-methylacetophenone

There total 1 articles about 3'-Fluoro-4'-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: 86.0%

4-(1-hydroxyethyl)-2-fluorotoluene (503824-88-2) → 1-(3-fluoro-4-methylphenyl)ethan-1-one (42444-14-4)

Guidance literature:

With pyridinium chlorochromate; In dichloromethane; at 20 ℃; for 1h; Molecular sieve;

Reference yield: 95.0%

methylmagnesium bromide (75-16-1) + 1-(3-fluoro-4-methylphenyl)ethan-1-one (42444-14-4) → 2-(3-fluoro-4-methylphenyl)propan-2-ol (1379326-22-3)

Guidance literature:

In diethyl ether; at 0 ℃;

DOI:10.1021/acs.orglett.7b03152

Reference yield: 88.0%

1-(3-fluoro-4-methylphenyl)ethan-1-one (42444-14-4) → (R)-1-(3-fluoro-4-methylphenyl)ethanol (1344955-38-9)

Guidance literature:

With Almag CRED A₆₀₁; NADP; glucose dehydrogenase; In water; dimethyl sulfoxide; at 30 ℃; pH=7; Enzymatic reaction;

DOI:10.1016/j.tetasy.2013.09.015

upstream raw materials:

4-(1-hydroxyethyl)-2-fluorotoluene

Downstream raw materials:

ethyl 2-ethoxycarbonyl-4-(3-fluoro-4-methylphenyl)-2-hydroxy-4-oxobutanoate

(1S)-1-(3-fluoro-4-methylphenyl)ethanamine

C₉H₁₂FN

(R)-1-(3-fluoro-4-methylphenyl)ethanol

Refernces

• 1、 -. "Water-soluble phenylpyridazine compounds and compositions containing the same". . . Retrieved 2008/06/13.
• 2、 -. "Water-soluble phenylpyridazine compounds and compositions containing the same". . . Retrieved 2008/06/13.