3-(3,5-Difluorophenyl)propionic acid

Base Information

• Chemical Name: 3-(3,5-Difluorophenyl)propionic acid
• CAS No.: 84315-24-2
• Molecular Formula: C9H8 F2 O2
• Molecular Weight: 186.158
• Hs Code.: 2916399090
• European Community (EC) Number: 624-854-4
• DSSTox Substance ID: DTXSID40394859
• Wikidata: Q82194517
• Mol file: 84315-24-2.mol

Synonyms:3-(3,5-DIFLUOROPHENYL)PROPIONIC ACID;84315-24-2;3-(3,5-difluorophenyl)propanoic Acid;Benzenepropanoic acid, 3,5-difluoro-;MFCD04116054;3-(3,5-Difluorophenyl)propionicAcid;3-(3,5-Difluoro-phenyl)-propionic acid;SCHEMBL1448093;DTXSID40394859;SAAKANGUQMVTHQ-UHFFFAOYSA-N;AB7022;AKOS013153635;CS-W016917;3-(3,5-difluoro-phenyl)propionic acid;3-(3',5'-Difluorophenyl)propionic acid;CS-11359;SY017165;FT-0660172;3-(3,5-Difluorophenyl)propionic acid, 97%;EN300-1856278

Chemical Property of 3-(3,5-Difluorophenyl)propionic acid

Chemical Property:

• Melting Point: 59-61 °C
• Boiling Point: 260.8±25.0 °C(Predicted)
• PKA: 4.51±0.10(Predicted)
• PSA: 37.30000
• Density: 1.312±0.06 g/cm3(Predicted)
• LogP: 1.98200
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 186.04923582
• Heavy Atom Count: 13
• Complexity: 175

Purity/Quality:

97% ^*data from raw suppliers

3-(3,5-Difluorophenyl)propionic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 21-37/38-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1F)F)CCC(=O)O
• Uses: 3-(3,5-Difluorophenyl)propionic acid is used as intermediate in pharmaceuticals.

Technology Process of 3-(3,5-Difluorophenyl)propionic acid

There total 9 articles about 3-(3,5-Difluorophenyl)propionic 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: 100.0%

(trans)-3-(3,5-difluorophenyl)acrylic acid (84315-23-1) → 3-(3,5-difluorophenyl)propionic acid (84315-24-2)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In tetrahydrofuran; for 5h; under 2585.81 Torr;

Reference yield: 100.0%

3,5-difluorocinnamic acid (84315-23-1) → 3-(3,5-difluorophenyl)propionic acid (84315-24-2)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In tetrahydrofuran; at 20 ℃; for 5h; under 2585.81 Torr;

Reference yield: 84.0%

ethyl 3-(3,5-difluorophenyl)propionate (163978-51-6) → 3-(3,5-difluorophenyl)propionic acid (84315-24-2)

Guidance literature:

With potassium hydroxide; In ethanol; water; for 2h; Heating;

DOI:10.1016/0040-4020(95)00075-J

upstream raw materials:

(trans)-3-(3,5-difluorophenyl)acrylic acid

3,5-difluorocinnamic acid

ethyl 3-(3,5-difluorophenyl)propionate

5-(3,5-difluoro-benzyl)-2,2-dimethyl-[1,3]dioxane-4,6-dione

Downstream raw materials:

3-(3,5-difluorophenyl)propan-1-ol

C₂₅H₃₄F₂N₂O₆

C₂₆H₃₁F₂NO₅

C₁₉H₂₅F₂NO₅