3,3,3-Trifluoro-2-Methylpropanoic acid

Base Information

• Chemical Name: 3,3,3-Trifluoro-2-Methylpropanoic acid
• CAS No.: 381-97-5
• Molecular Formula: C4H5F3O2
• Molecular Weight: 142.078
• Hs Code.: 2915900090
• Mol file: 381-97-5.mol

Synonyms:2-trifluoromethylpropanoic acid;2-Methyl-3,3,3-trifluoropropionic acid;

Chemical Property of 3,3,3-Trifluoro-2-Methylpropanoic acid

Chemical Property:

• Boiling Point: 67 °C(Press: 25 Torr)
• PKA: 3.23±0.10(Predicted)
• PSA: 37.30000
• Density: 1.340±0.06 g/cm3(Predicted)
• LogP: 1.26940
• Storage Temp.: 2-8°C

Purity/Quality:

98% ^*data from raw suppliers

3,3,3-Trifluoro-2-methylpropanoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3,3,3-Trifluoro-2-Methylpropanoic acid

There total 9 articles about 3,3,3-Trifluoro-2-Methylpropanoic 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: 97.0%

trifluoromethyacrylic acid (381-98-6) → (2RS)-3,3,3-trifluoro-2-methylpropanoic acid (381-97-5)

Guidance literature:

With hydrogen; Rh/Al₂O₃; In diethyl ether; at 25 ℃; for 2h; under 750.06 Torr; ultrasound;

DOI:10.1016/j.jfluchem.2005.07.006

Reference yield: 80.0%

3,3,3-trifluoro-2-methylpropionaldehyde (58928-28-2) → (2RS)-3,3,3-trifluoro-2-methylpropanoic acid (381-97-5)

Guidance literature:

With sodium chlorite; disodium hydrogenphosphate; dihydrogen peroxide; In acetonitrile; at 10 ℃; for 2h;

DOI:10.1016/S0022-1139(96)03571-3

Reference yield: 61.0%

Ethyl 2-methyl-3,3,3-trifluoropropionate (56354-75-7,121773-36-2) → (2RS)-3,3,3-trifluoro-2-methylpropanoic acid (381-97-5)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; for 15h; Heating;

DOI:10.1016/j.tetasy.2004.07.014

upstream raw materials:

3,3,3-trifluoro-2-methylpropanamide

1,1,1-trifluoropropylene

carbon monoxide

2-(2,2,2-trifluoro-1-methylethylidene)-1,3-dithiane

Downstream raw materials:

methyl-propanedioic acid

3,3,3-Trifluoro-2-methyl-N-(4-nitro-3-trifluoromethyl-phenyl)-propionamide

(S*)-3,3,3-trifluoro-2-methylpropan-1-ol

Refernces

• 1、 Ariyasingha, Nuwandi M.,Chekmenev, Eduard Y.,Chukanov, Nikita V.,Gelovani, Juri G.,Joalland, Baptiste,Koptyug, Igor V.,Kovtunov, Kirill V.,Nantogma, Shiraz,Salnikov, Oleg G.,Younes, Hassan R.. "Low-Flammable Parahydrogen-Polarized MRI Contrast Agents". . p. 2774 - 2781. Retrieved 2021/01/18.
• 2、 Reed, John H.,Cramer, Nicolai. "1,3,2-Diazaphospholenes Catalyze the Conjugate Reduction of Substituted Acrylic Acids". . p. 4262 - 4266. Retrieved 2020/07/13.