1-Ethoxy-2,2,2-trifluoroethanol

Base Information

• Chemical Name: 1-Ethoxy-2,2,2-trifluoroethanol
• CAS No.: 433-27-2
• Deprecated CAS: 93884-90-3
• Molecular Formula: C4H7F3O2
• Molecular Weight: 144.094
• Hs Code.: 29110000
• European Community (EC) Number: 207-087-6
• NSC Number: 65431
• DSSTox Substance ID: DTXSID30870536
• Nikkaji Number: J49.833E
• ChEMBL ID: CHEMBL1979687
• Mol file: 433-27-2.mol

Synonyms:433-27-2;Trifluoroacetaldehyde ethyl hemiacetal;1-Ethoxy-2,2,2-trifluoroethanol;Fluoral ethyl hemiacetal;ETHANOL, 1-ETHOXY-2,2,2-TRIFLUORO-;1-ethoxy-2,2,2-trifluoroethan-1-ol;TRIFLUOROACETALDEHYDEETHYLHEMIACETAL;EINECS 207-087-6;MFCD00000441;NSC 65431;BRN 0906797;Trifluoroacetaldehyde ethyl hemiacetal (tech.);Trifluoroacetaldehyde hemiethylacetal;1-ethoxy-2,2,2-trifluoro-ethanol;Perfluoroacetaldehyde Ethyl Hemiacetal;SCHEMBL613969;1-Ethoxy-2,2-trifluoroethanol;CHEMBL1979687;DTXSID30870536;C4-H7-F3-O2;NSC65431;trifluoroacetaldehyde ethylhemiacetal;NSC-65431;triflouroacetaldehyde ethyl hemiacetal;trifluoroacetaldehyde ethyl-hemiacetal;AKOS005254321;tri-fluoroacetaldehyde ethyl hemiacetal;BS-23878;LS-66756;NCI60_018864;Trifluoroacetaldehyde ethyl hemiacetal, 90%;2,2,2-trifluoroacetaldehyde ethyl hemiacetal;FT-0607726;T0791;Trifluoroacetaldehyde ethyl hemiacetal, tech.;EN300-93419;F53519

Chemical Property of 1-Ethoxy-2,2,2-trifluoroethanol

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 16.4mmHg at 25°C
• Refractive Index: n20/D 1.342(lit.)
• Boiling Point: 105.048 °C at 760 mmHg
• PKA: 10.57±0.20(Predicted)
• Flash Point: 39.444 °C
• PSA: 29.46000
• Density: 1.251 g/cm³
• LogP: 0.90360
• Storage Temp.: 0-6°C
• Solubility.: Chloroform, Ethyl Acetate
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 144.03981395
• Heavy Atom Count: 9
• Complexity: 80.4

Purity/Quality:

98%,99%, ^*data from raw suppliers

Trifluoroacetaldehyde ethyl hemiacetal ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,T,F
• Hazard Codes: Xn,T,F
• Statements: 10-22-11-2017/10/22
• Safety Statements: 16-24-23-45-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC(C(F)(F)F)O
• Uses: Alternative to gaseous unstable trifluoroacetaldehyde: used to prepare α-trifluoromethylated alcohols for antifungals, antitumor, and chemotherapeutic agents.1,2,3 Trifluoroacetaldehyde Ethyl Hemiacetal is used in the synthesis of peptidomimetic inhibitors of the human cytomegalovirus protease. It is also used in the synthesis of transforming growth factor-β typ e receptor inhibitors. Trifluoroacetaldehyde Ethyl Hemiacetal is used in the synthesis of peptidomimetic inhibitors of the human cytomegalovirus protease. It is also used in the synthesis of transforming growth factor-β type receptor inhibitors.

Technology Process of 1-Ethoxy-2,2,2-trifluoroethanol

There total 10 articles about 1-Ethoxy-2,2,2-trifluoroethanol 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: 99.0%

C10H21F3O2Si (1254592-76-1) → ethyl trifluoroacetaldehyde hemiacetal (433-27-2)

Guidance literature:

With potassium carbonate; In ethanol; at 65 ℃; for 15h; Reagent/catalyst; Solvent; Temperature;

Reference yield: 87.0%

C12H24F6O5Si2 → ethyl trifluoroacetaldehyde hemiacetal (433-27-2)

Guidance literature:

With triethylamine tris(hydrogen fluoride); at 0 ℃; for 1h;

Reference yield: 74.0%

ethyl trifluoroacetate, (383-63-1) → ethyl trifluoroacetaldehyde hemiacetal (433-27-2)

Guidance literature:

ethyl trifluoroacetate,; With tris(pentafluorophenyl)borate; diphenylsilane; In dichloromethane; at 7 - 27 ℃; for 21.5h;

With triethylamine tris(hydrogen fluoride); In dichloromethane; at 0 ℃; for 2h;

upstream raw materials:

ethanol

2,2,2-Trifluoroacetaldehyde

orthoformic acid triethyl ester

ethyl trifluoroacetate,

Downstream raw materials:

2,2,2-trifluoro-1-(indol-3-yl)ethanol

2,2,2-trifluoro-1-(1-methyl-1H-indol-3-yl)ethan-1-ol

1-trifluoromethyl-1,2,3,4-tetrahydro-β-carboline

6-hydroxy-1-trifluoromethyl-1,2,3,4-tetrahydro-9H-pyrido<3,4-b>indole

Refernces

• 1、 -. "MANUFACTURING METHOD OF α-FLUOROALDEHYDE EQUIVALENT". Paragraph 0158-0163. . Retrieved 2016/12/12.
• 2、 Lin, Jin-Hong,Zong, Guoqiang,Du, Ruo-Bing,Xiao, Ji-Chang,Liu, Shubin. "The asymmetric synthesis of CF3- or -CF2-substituted tetrahydroquinolines by employing a chiral phosphoric acid as catalyst". supporting information; experimental part. p. 7738 - 7740. Retrieved 2012/09/07.