Trichloroacetic anhydride

Base Information

• Chemical Name: Trichloroacetic anhydride
• CAS No.: 4124-31-6
• Molecular Formula: C4Cl6O3
• Molecular Weight: 308.76
• Hs Code.: 2915900090
• European Community (EC) Number: 223-925-3
• DSSTox Substance ID: DTXSID00871055
• Nikkaji Number: J150.161E
• Mol file: 4124-31-6.mol

Synonyms:trichloroacetic anhydride

Chemical Property of Trichloroacetic anhydride

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: 0.106mmHg at 25°C
• Refractive Index: n20/D 1.484(lit.)
• Boiling Point: 221.7 °C at 760 mmHg
• Flash Point: 79.5 °C
• PSA: 43.37000
• Density: 1.888 g/cm³
• LogP: 2.79660
• Sensitive.: Moisture Sensitive
• Solubility.: Miscible with ether and acetic acid.
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 307.794910
• Heavy Atom Count: 13
• Complexity: 201

Purity/Quality:

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

Trichloroacetic anhydride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 22-35
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Acid Anhydrides, Other
• Canonical SMILES: C(=O)(C(Cl)(Cl)Cl)OC(=O)C(Cl)(Cl)Cl
• Uses: Trichloroacetic Anhydride is used in organometallic reactions as well as oxadiazole containing 5-lipoxygenase activating protein inhibitors.

Technology Process of Trichloroacetic anhydride

There total 10 articles about Trichloroacetic anhydride 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: 60.0%

trichloroacetic acid (76-03-9) → trichloroacetic acid anhydride (4124-31-6)

Guidance literature:

With thionyl chloride; In N,N-dimethyl-formamide; at 120 ℃; for 5h;

DOI:10.1023/A:1022282503476

Reference yield: 50.0%

O-acetyl S,S-dipropyl phosphorodithioite (84103-77-5) → mixed anhydride of acetic and trichloroacetic acids (32676-68-9) + dipropyl phosphorochloridodithioite (4104-04-5) + acetic anhydride (108-24-7) + trichloroacetic acid anhydride (4124-31-6)

Guidance literature:

With trifluoroacetyl chloride; for 1h; Ambient temperature;

Reference yield:

→ trichloroacetic acid anhydride (4124-31-6)

Guidance literature:

With phosgene; acetic acid ester;

upstream raw materials:

trifluoroacetyl chloride

trichloroacetic acid

dichloromethane

ethynyl methyl ether

Downstream raw materials:

bis-(4-chloro-phenyl)-trichloromethyl-[1,3,5]triazine

N-trichloroacetyl-DL-phenylalanine

N-Trichloracetyl-p-aminosalicylsaeure

2-trichloroacetylcyclohexanone

Refernces

• 1、 Bogachev,Ulanov. "The Interaction of Trihalogenoacetic Anhydrides and Trihalogenoacetyl Chlorides with Thymidine 5′-Phosphate as an Approach to New Activating Agents in the Phosphorylation Reactions for Nucleotides". . p. 56 - 65. Retrieved 2007/10/03.
• 2、 -. "Aromatic thioether acylation method". . . Retrieved 2008/06/13.