Dichloroacetic anhydride

Base Information

• Chemical Name: Dichloroacetic anhydride
• CAS No.: 4124-30-5
• Molecular Formula: C4H2 Cl4 O3
• Molecular Weight: 239.87
• Hs Code.: 2915900090
• European Community (EC) Number: 223-924-8
• NSC Number: 401832
• UNII: MB3OGR64IN
• DSSTox Substance ID: DTXSID5041011
• Nikkaji Number: J1.828G
• Wikidata: Q27283787
• Mol file: 4124-30-5.mol

Synonyms:dichloroacetic anhydride

Chemical Property of Dichloroacetic anhydride

Chemical Property:

• Vapor Pressure: 0.151mmHg at 25°C
• Melting Point: -30oC
• Refractive Index: n20/D 1.483(lit.)
• Boiling Point: 215°Cat760mmHg
• Flash Point: 90.6°C
• PSA: 43.37000
• Density: 1.695g/cm³
• LogP: 1.66360
• Storage Temp.: Store below +30°C.
• Sensitive.: Moisture Sensitive
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 239.872855
• Heavy Atom Count: 11
• Complexity: 149

Purity/Quality:

99% ^*data from raw suppliers

Dichloroacetic anhydride technical grade, 85% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 20/21/22-34
• Safety Statements: 26-27-28-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(=O)OC(=O)C(Cl)Cl)(Cl)Cl
• Uses: Dichloroacetic anhydride was employed as an acylating agent for acylation of 10-Deacetylbaccatin III using Pseudomonas cepacia. It was also used in the preparation of cellulose dichloroacetates.

Technology Process of Dichloroacetic anhydride

There total 10 articles about Dichloroacetic 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:

dichloro-acetic acid (79-43-6) → dichloroacetic anhydride (4124-30-5)

Guidance literature:

With phosphorus pentoxide; at 180 ℃;

Reference yield:

dichloroacethyl chloride (79-36-7) → dichloroacetic anhydride (4124-30-5)

Guidance literature:

With water; sodium carbonate;

Reference yield:

dichloro-acetic acid (79-43-6) → formamide (77287-34-4,77287-35-5,60100-09-6) + dichloroacetic anhydride (4124-30-5)

Guidance literature:

With hydrogenchloride; hydrogen cyanide; at 0 ℃; zuerst ohne Loesungmittel, dann in Dioxan;

upstream raw materials:

dichloro-acetic acid

dichloroacethyl chloride

acetic anhydride

hydrogenchloride

Downstream raw materials:

(S)-(1α,5α,6α)-3-(4-{5-[(2,2,-dichloroacetylamino)methyl]-2-oxooxazolidin-3-yl}-2,6-difluorophenyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid tert-butyl ester

(S)-[(1α,5α,6α)-3-(4-{5-[(2,2-dichloroacetylamino)methyl]-2-oxooxazolidin-3-yl}-2,6-difluorophenyl)-3-azabicyclo[3.1.0]hex-6-yl]carbamic acid tert-butyl ester

(S)-2,2-dichloro-N-((3-(3-fluoro-4-morpholinophenyl)-2-oxooxazolidin-5-yl)methyl)acetamide

3,4-dimethoxy-6-(10-acetyloxydecanoyl)toluene

Refernces

• 1、 -. "Hydroxy protection groups". . . Retrieved 2008/06/13.