3,3,3-trifluoro-2-(hydroxymethyl)propanoic Acid

Base Information

• Chemical Name: 3,3,3-trifluoro-2-(hydroxymethyl)propanoic Acid
• CAS No.: 382-43-4
• Molecular Formula: C₄H₅F₃O₃
• Molecular Weight: 158.077
• Hs Code.: 2918199090
• European Community (EC) Number: 807-501-0
• Mol file: 382-43-4.mol

Synonyms:382-43-4;3,3,3-trifluoro-2-(hydroxymethyl)propanoic Acid;2-(Trifluoromethyl)-3-hydroxypropionic acid;3-Hydroxy-2-trifluoromethylpropionic acid;3-Hydroxy-2-(trifluoromethyl)propionic acid;MFCD00042314;Propanoic acid, 3,3,3-trifluoro-2-(hydroxymethyl)-;SCHEMBL1234369;a-trifluoromethylhydracrylic acid;PKKMMANRRSONBS-UHFFFAOYSA-N;AC1707;AKOS005173387;CS-11584;SY025715;3-Hydroxy-2-(trifluoromethyl)propanoic acid;CS-0316039;FT-0615798;EN300-393586;3,3,3-trifluoro-2-(hydroxymethyl)propanoicAcid;A824079

Chemical Property of 3,3,3-trifluoro-2-(hydroxymethyl)propanoic Acid

Chemical Property:

• Vapor Pressure: 0.000739mmHg at 25°C
• Refractive Index: 1.382
• Boiling Point: 273.3 °C at 760 mmHg
• PKA: 2.84±0.11(Predicted)
• Flash Point: 119.1 °C
• PSA: 57.53000
• Density: 1.527 g/cm³
• LogP: 0.24180
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 158.01907850
• Heavy Atom Count: 10
• Complexity: 130

Purity/Quality:

98%min ^*data from raw suppliers

3,3,3-Trifluoro-2-(hydroxymethyl)propanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C,Xn
• Statements: 34-36-22
• Safety Statements: 26-28-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3,3,3-trifluoro-2-(hydroxymethyl)propanoic Acid

There total 4 articles about 3,3,3-trifluoro-2-(hydroxymethyl)propanoic 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: 96.0%

trifluoromethyacrylic acid (381-98-6) → 3-hydroxy-2-(trifluoromethyl)propenoic acid (382-43-4)

Guidance literature:

With water; at 80 ℃;

DOI:10.1021/acs.oprd.0c00422

Reference yield:

2-(trifluoromethyl)acrylonitrile (381-84-0) → 3-hydroxy-2-(trifluoromethyl)propenoic acid (382-43-4)

Guidance literature:

With sulfuric acid; at 130 ℃; und Erhitzen des mit Wasser versetzten Reaktionsgemisches auf 120grad;

Reference yield:

β,β,β-trifluoro-β'-hydroxy-isobutyric acid amide (432-15-5) → 3-hydroxy-2-(trifluoromethyl)propenoic acid (382-43-4)

Guidance literature:

With sulfuric acid; at 120 ℃;

upstream raw materials:

2-(trifluoromethyl)acrylonitrile

β,β,β-trifluoro-β'-hydroxy-isobutyric acid amide

β'-chloro-β,β,β-trifluoro-isobutyric acid amide

trifluoromethyacrylic acid

Downstream raw materials:

trifluoromethyacrylic acid

β,β,β-trifluoro-β'-methoxy-isobutyric acid methyl ester

Refernces

• 1、 Song, Zhiguo J.,Qi, Ji,Emmert, Marion H.,Wang, Jinxing,Yang, Xuezhi,Xiao, Dong. "Two Scalable Syntheses of 3-(Trifluoromethyl)cyclobutane-1-carboxylic Acid". . p. 82 - 88. Retrieved 2021/01/13.