Trifluoroacetaldehyde hydrate

Base Information

• Chemical Name: Trifluoroacetaldehyde hydrate
• CAS No.: 421-53-4
• Molecular Formula: C2H3 F3 O2
• Molecular Weight: 116.04
• Hs Code.: 29130000
• European Community (EC) Number: 207-006-4
• NSC Number: 146025
• UNII: DWG4394PJH
• DSSTox Substance ID: DTXSID4059964
• Nikkaji Number: J1.531H
• Wikidata: Q81989016
• Mol file: 421-53-4.mol

Synonyms:fluoral hydrate;trifluoroacetaldehyde hydrate

Chemical Property of Trifluoroacetaldehyde hydrate

Chemical Property:

• Vapor Pressure: 4740mmHg at 25°C
• Melting Point: 69-70℃
• Refractive Index: 1.33
• Boiling Point: 141.1°Cat760mmHg
• PKA: 10.22±0.41(Predicted)
• Flash Point: 39.2°C
• PSA: 40.46000
• Density: 1.582g/cm³
• LogP: -0.14060
• Water Solubility.: Soluble in water.
• XLogP3: 0
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 116.00851382
• Heavy Atom Count: 7
• Complexity: 56.4

Purity/Quality:

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

FluoralHydrate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 20/21/22-43-36-22-11
• Safety Statements: 24/25-36/37-26-16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(F)(F)F)(O)O
• Uses: Trifluoroacetaldehyde monohydrate is used as an agricultural chemical, a drug and therapeutic agent, a fungicide, bactericide, and wood preservative. One general application of trifluoroacetaldehyde is the preparation of trifluoroethylamino derivatives via reductive amination reaction. This synthesis includes the formation of the corresponding N,O-acetal intermediates followed by their reduction using NaBH4?or 2-picoline borane complex, affording the target trifluoroethylamino compounds in moderate to good yields. Another general application of trifluoroacetaldehyde is the synthesis of chiral α-substituted trifluoroethylamino compounds.

Technology Process of Trifluoroacetaldehyde hydrate

There total 18 articles about Trifluoroacetaldehyde hydrate 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: 85.0%

trifluoromethan (75-46-7) → 2,2,2-trifluoro-1,1-ethanediol (421-53-4)

Guidance literature:

With sodium hydride; sodium methylsulfinylmethanide; In dimethyl sulfoxide; at 70 ℃; for 0.5h;

DOI:10.1016/S0040-4020(98)00846-1

Reference yield: 83.0%

trifluoroacetic acid (76-05-1) → 2,2,2-trifluoro-1,1-ethanediol (421-53-4)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; at -78 ℃;

DOI:10.1002/hlca.201100449

Reference yield: 56.0%

trifluoromethan (75-46-7) + potassium tert-butylate (865-47-4) → 2,2,2-trifluoro-1,1-ethanediol (421-53-4)

Guidance literature:

trifluoromethan; potassium tert-butylate; In 1-pyrrolidinecarboxaldehyde; at -15 ℃; for 0.5h;

With sulfuric acid;

upstream raw materials:

1,1,1-trifluoropropane

trifluoroacetonitrile

trifluoroacetic acid

trifluoroacetic anhydride

Downstream raw materials:

1,1,1-trifluoro-3-nitro-2-propanol

rac-4,4,4-trifluoro-3-hydroxybutanoic acid

phenylhydrazone of trifluoroacetaldehyde

ethyl trifluoroacetaldehyde hemiacetal

Refernces

• 1、 Loh, Teck-Peng,Li, Xu-Ran. "A simple and practical synthesis of α-trifluoromethylated alcohols in water". . p. 5611 - 5622. Retrieved 1999.
• 2、 Kim, Jinwoo,Kim, Suhyeon,Kim, Dongwook,Chang, Sukbok. "Ru-Catalyzed Deoxygenative Regioselective C8-H Arylation of Quinoline N-Oxides". supporting information. p. 13150 - 13158. Retrieved 2019/08/22.
• 3、 -. "Tetrahydropyridinyl and Dihydropyrrolyl Compounds and the Use Thereof". Page/Page column 37. . Retrieved 2011/06/24.