TRIFLUOROACETALDEHYDE METHYL HEMIACETAL

Base Information

• Chemical Name: TRIFLUOROACETALDEHYDE METHYL HEMIACETAL
• CAS No.: 431-46-9
• Molecular Formula: C3H5 F3 O2
• Molecular Weight: 130.067
• Hs Code.: 29110000
• European Community (EC) Number: 207-072-4
• DSSTox Substance ID: DTXSID30883383
• Nikkaji Number: J49.839D
• Mol file: 431-46-9.mol

Synonyms:1-Methoxy-2,2,2-trifluoroethanol;2,2,2-Trifluoro-1-methoxyethanol; Fluoral methyl hemiacetal;Trifluoroacetaldehyde methyl hemiacetal

Chemical Property of TRIFLUOROACETALDEHYDE METHYL HEMIACETAL

Chemical Property:

• Vapor Pressure: 336mmHg at 25°C
• Refractive Index: 1.33
• Boiling Point: 43°Cat760mmHg
• PKA: 10.43±0.20(Predicted)
• Flash Point: 24.1°C
• PSA: 29.46000
• Density: 1.317g/cm³
• LogP: 0.51350
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 130.02416388
• Heavy Atom Count: 8
• Complexity: 69.4

Purity/Quality:

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

Trifluoroacetaldehyde Methyl Hemiacetal (contains ca. 10% Methanol) >88.0%(GC) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T,F,Xi
• Statements: 10-20/21/22-36
• Safety Statements: 16-26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(C(F)(F)F)O

Technology Process of TRIFLUOROACETALDEHYDE METHYL HEMIACETAL

There total 10 articles about TRIFLUOROACETALDEHYDE METHYL HEMIACETAL 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: 91.0%

trifluoroacetic acid-methyl ester (431-47-0) → 2,2,2-trifluoro-1-methoxy-ethanol (431-46-9)

Guidance literature:

With C₁₈H₃₀ClIrN₂OS; hydrogen; sodium methylate; In methanol; at 40 ℃; for 24h; under 18751.9 Torr; Reagent/catalyst;

Reference yield: 7.0%

trifluoroacetic acid-methyl ester (431-47-0) → 2,2,2-trifluoroethanol (75-89-8) + 2,2,2-trifluoro-1-methoxy-ethanol (431-46-9)

Guidance literature:

With [carbonylchlorohydrido{bis[2-(diphenylphosphinomethyl)ethyl]amino}ethylamino] ruthenium(II); hydrogen; sodium methylate; In methanol; at 40 ℃; for 19h; under 4500.45 Torr; Pressure; Temperature; Time; Concentration; Reagent/catalyst; Autoclave;

DOI:10.1039/d0gc02225j

Reference yield:

ethanol (64-17-5) + trifluoroacetic acid-methyl ester (431-47-0) → 2,2,2-trifluoroethanol (75-89-8) + 2,2,2-trifluoro-1-methoxy-ethanol (431-46-9) + ethyl trifluoroacetaldehyde hemiacetal (433-27-2)

Guidance literature:

With C₂₈H₂₉ClNOP₂Ru; hydrogen; sodium ethanolate; at 38 ℃; under 6750.68 Torr; Autoclave;

upstream raw materials:

methanol

2,2,2-Trifluoroacetaldehyde

trimethyl orthoformate

2,2,2-trifluoro-1,1-ethanediol

Downstream raw materials:

2,2,2-Trifluoroacetaldehyde

3,4-dimethyl-5-phenyl-2-(trilfuoromethyl)-1,3-oxazolane

3-cyclohexyl-1,1,1-trifluoro-3-nitropropan-2-ol

Refernces

• 1、 Dub, Pavel A.,Batrice, Rami J.,Gordon, John C.,Scott, Brian L.,Minko, Yury,Schmidt, Jurgen G.,Williams, Robert F.. "Engineering Catalysts for Selective Ester Hydrogenation". . p. 415 - 442. Retrieved 2020/03/04.
• 2、 -. "METHOD FOR PRODUCING 1,2,2,2-TETRAFLUORO-ETHYL DIFLUOROMETHYL ETHER (DESFLURANE)". Paragraph 0128; 0129; 0130; 0131-0133. . Retrieved 2019/02/02.