3-Fluoro-4-methylcinnamic acid

Base Information

• Chemical Name: 3-Fluoro-4-methylcinnamic acid
• CAS No.: 261951-72-8
• Molecular Formula: C10H9FO2
• Molecular Weight: 180.17600
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID90420758
• Wikidata: Q82232056
• Mol file: 261951-72-8.mol

Synonyms:3-Fluoro-4-methylcinnamic acid;261951-72-8;3-(3-Fluoro-4-methylphenyl)acrylic acid;(2E)-3-(3-fluoro-4-methylphenyl)prop-2-enoic acid;(E)-3-(3-fluoro-4-methylphenyl)prop-2-enoic acid;694511-55-2;(E)-3-(3-fluoro-4-methylphenyl)acrylic acid;3-(3-fluoro-4-methyl-phenyl)-acrylic acid;SCHEMBL584806;DTXSID90420758;MFCD01631413;AKOS009158310;JS-4193;BP-20080;CS-0161249;D83312;EN300-1453707

Chemical Property of 3-Fluoro-4-methylcinnamic acid

Chemical Property:

• PSA: 37.30000
• LogP: 2.23190
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 180.05865769
• Heavy Atom Count: 13
• Complexity: 213

Purity/Quality:

98%min ^*data from raw suppliers

3-Fluoro-4-methylcinnamicAcid ^*data from reagent suppliers

Safty Information:

• 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=CC(=O)O)F
• Isomeric SMILES: CC1=C(C=C(C=C1)/C=C/C(=O)O)F

Technology Process of 3-Fluoro-4-methylcinnamic acid

There total 1 articles about 3-Fluoro-4-methylcinnamic acid 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%

→ 3-(3-fluoro-4-methylphenyl)acrylic acid (261951-72-8)

Guidance literature:

Reference yield:

3-(3-fluoro-4-methylphenyl)acrylic acid (261951-72-8) + chloroformic acid ethyl ester (541-41-3) → C13H13FO4

Guidance literature:

With triethylamine; In acetone; at 0 - 5 ℃; for 2h;

Reference yield:

3-(3-fluoro-4-methylphenyl)acrylic acid (261951-72-8) → 6-fluoro-7-methyl-2H-isoquinolin-1-one (923023-38-5)

Guidance literature:

3-(3-fluoro-4-methylphenyl)acrylic acid; With chloroformic acid ethyl ester; triethylamine; In acetone; at 0 - 5 ℃; for 2h;

With sodium azide; In water; acetone; for 1h;

In diphenylether; at 230 - 250 ℃; for 1h;

Downstream raw materials:

6-fluoro-7-methyl-2H-isoquinolin-1-one

Refernces