3,3,3-TRIFLUOROLACTIC ACID

Base Information

• Chemical Name: 3,3,3-TRIFLUOROLACTIC ACID
• CAS No.: 684-07-1
• Molecular Formula: C3H3 F3 O3
• Molecular Weight: 144.05
• Hs Code.: 2918199890
• Mol file: 684-07-1.mol

Synonyms:Lacticacid, 3,3,3-trifluoro- (7CI,8CI); 3,3,3-Trifluoro-2-hydroxypropanoic acid;3,3,3-Trifluoro-2-hydroxypropionic acid; 3,3,3-Trifluorolactic acid; NSC 56231;b,b,b-Trifluorolactic acid

Chemical Property of 3,3,3-TRIFLUOROLACTIC ACID

Chemical Property:

• Melting Point: 68-69ºC
• Boiling Point: 157ºC 123mm，256.4 °C at 760 mmHg
• PKA: 2.29±0.11(Predicted)
• Flash Point: 108.9 °C
• PSA: 57.53000
• Density: 1.656 g/cm³
• LogP: -0.00580
• Sensitive.: Hygroscopic
• Water Solubility.: Soluble in water.

Purity/Quality:

99% ^*data from raw suppliers

3,3,3-Trifluoro-2-hydroxypropionic acid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R34:Causes burns.
• Hazard Codes: C,Xi
• Statements: 34-36
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 3,3,3-Trifluorolactic acid is used as pharmaceutical intermediate.

Technology Process of 3,3,3-TRIFLUOROLACTIC ACID

There total 6 articles about 3,3,3-TRIFLUOROLACTIC 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: 92.0%

3,3-dichloro-1,1,1-trifluoroacetone (126266-75-9) → 3,3,3-trifluoro-2-hydroxy-propionic acid (684-07-1)

Guidance literature:

With sodium hydroxide; at 25 ℃; for 1h;

DOI:10.1016/j.jfluchem.2003.11.030

Reference yield: 80.0%

ethyl 3,3,3-trifluoro-2-hydroxypropanoate (94726-00-8) → 3,3,3-trifluoro-2-hydroxy-propionic acid (684-07-1)

Guidance literature:

With hydrogenchloride; for 4h; Heating;

Reference yield: 41.0%

methyl 3,3,3-trifluoropyruvate (13089-11-7) → 3,3,3-trifluoro-2-hydroxy-propionic acid (684-07-1)

Guidance literature:

methyl 3,3,3-trifluoropyruvate; With isopropyl alcohol; at 250 ℃; for 6h;

With hydrogenchloride; for 6h; Heating;

DOI:10.1016/S0022-1139(03)00036-8

upstream raw materials:

(±)-3,3,3-trifluoro-2-hydroxypropanenitrile

ethyl 3,3,3-trifluoro-2-hydroxypropanoate

methyl 3,3,3-trifluoropyruvate

isopropyl alcohol

Downstream raw materials:

methyl d,l-2-hydroxy-3,3,3-trifluoropropionate

ethyl 3,3,3-trifluoro-2-hydroxypropanoate

Refernces

• 1、 Wong, Lawrence W.-Y.,Vashchenko, Elena V.,Zhao, Ying,Sung, Herman H.-Y.,Vashchenko, Valerii V.,Mikhailenko, Vadim,Krivoshey, Alexander I.,Williams, Ian D.. "Tandem crystallization strategies for resolution of 3,3,3-trifluorolactic acid [CF3CH(OH)COOH] by chiral benzylamines". . p. 979 - 991. Retrieved 2019.
• 2、 Yasumoto, Manabu,Ueki, Hisanori,Ono, Taizo,Katagiri, Toshimasa,Soloshonok, Vadim A.. "Self-disproportionation of enantiomers of isopropyl 3,3,3-(trifluoro)lactate via sublimation: Sublimation rates vs. enantiomeric composition". experimental part. p. 535 - 539. Retrieved 2010/04/30.
• 3、 -. "Process for producing 3,3,3-trifluoro-2-hydroxypropionic acid or its derivative". Page 5. . Retrieved 2010/02/05.