Phthalic anhydride-d4

Base Information

• Chemical Name: Phthalic anhydride-d4
• CAS No.: 75935-32-9
• Molecular Formula: C8D4O3
• Molecular Weight: 152.086
• European Community (EC) Number: 689-509-2
• DSSTox Substance ID: DTXSID40583761
• Wikidata: Q82475367
• Mol file: 75935-32-9.mol

Synonyms:75935-32-9;Phthalic anhydride-d4;Phthalic Acid Anhydride-d4;4,5,6,7-tetradeuterio-2-benzofuran-1,3-dione;PHTHALIC ANHYDRIDE-D4-D;(~2~H_4_)-2-Benzofuran-1,3-dione;PHTHALIC-D4 ANHYDRIDE;SCHEMBL410690;DTXSID40583761;LGRFSURHDFAFJT-RHQRLBAQSA-N;Phthalic anhydride-d4, 98 atom % D;HY-W019814;1,3-dihydro(?H?)-2-benzofuran-1,3-dione;CS-0031605;D98039

Chemical Property of Phthalic anhydride-d4

Chemical Property:

• Vapor Pressure: 0.00157mmHg at 25°C
• Melting Point: 131-134 °C(lit.)
• Refractive Index: 1.612
• Boiling Point: 295 °C at 760 mmHg
• Flash Point: 139.7 °C
• PSA: 43.37000
• Density: 1.483 g/cm³
• LogP: 0.99720
• Storage Temp.: Refrigerator, Under Inert Atmosphere
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 152.041150969
• Heavy Atom Count: 11
• Complexity: 187

Purity/Quality:

98% ^*data from raw suppliers

PhthalicAcidAnhydride-d4 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38-42/43-41-37/38
• Safety Statements: 26-36-46-37/39-24/25-23

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)OC2=O
• Isomeric SMILES: [2H]C1=C(C(=C2C(=C1[2H])C(=O)OC2=O)[2H])[2H]
• Uses: PHTHALIC-D4 ANHYDRIDE, an organic reagent used to synthesize phthalates. Labelled analogue of Phthalic Acid Anhydride, an organic reagent used to synthesize phthalates.

Technology Process of Phthalic anhydride-d4

There total 2 articles about Phthalic anhydride-d4 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: 100.0%

3,4,5,6-tetradeuterophtaloyl dicarboxylic acid (87976-26-9) → phthalic anhydride-d4 (75935-32-9)

Guidance literature:

With acetic anhydride; In dichloromethane; for 3h; Reflux;

DOI:10.1021/jo100858n

Reference yield:

→ phthalic anhydride-d4 (75935-32-9)

Guidance literature:

Tetrachlor-phthalsaeureanhydrid, 1) D2O, Δ, Na-Methylat, Ni-Al-Legierung (-> Perdeuterio-phthalsaeure, F: 191grad), 2) Dest.;

Reference yield: 99.0%

phthalic anhydride-d4 (75935-32-9) → perdeutero-o-benzyne (67356-66-5)

Guidance literature:

Irradiation;

DOI:10.1021/ja00027a007

upstream raw materials:

3,4,5,6-tetradeuterophtaloyl dicarboxylic acid

Downstream raw materials:

perdeutero-o-benzyne

mono[2-ethyl-5-(tert-butyldiphenylsilyloxy)hexyl] (3,4,5,6-2H₄)-phthalate

mono(2-ethyl-5-oxohexyl) (3,4,5,6-2H₄)-phthalate

3,4,5,6-tetradeuterophthalimide

Refernces

• 1、 Verbeeck, Stefan,Herrebout, Wouter A.,Gulevskaya, Anna V.,Van Der Veken, Benjamin J.,Maes, Bert U. W.. "ONSH: Optimization of oxidative alkylamination reactions through study of the reaction mechanism". scheme or table. p. 5126 - 5133. Retrieved 2010/09/18.