(2H3)Acetic anhydride

Base Information

• Chemical Name: (2H3)Acetic anhydride
• CAS No.: 16649-49-3
• Molecular Formula: C4D6O3
• Molecular Weight: 108.042
• Hs Code.: 28459010
• European Community (EC) Number: 240-697-0
• DSSTox Substance ID: DTXSID20168111
• Nikkaji Number: J318.278I
• Wikidata: Q83037619
• Mol file: 16649-49-3.mol

Synonyms:16649-49-3;(2H3)Acetic anhydride;Acetic anhydride-d6;(2,2,2-trideuterioacetyl) 2,2,2-trideuterioacetate;EINECS 240-697-0;Acetic-2,2,2-d3 anhydride;[2H3]acetic anhydride;Acetic Anhydride D6;(acetic anhydride)-d6;ACETICANHYDRIDE-D6;Acetic-d3 acid, anhydride;SCHEMBL704358;C4D6O3;DTXSID20168111;C4-D6-O3;Acetic anhydride-d6, 99 atom % D;MFCD00044225;AKOS015904146;(2,2,2-?H?)acetyl (?H?)acetate;AT37434;CS-O-10852;A935752

Chemical Property of (2H3)Acetic anhydride

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: 5.94mmHg at 25°C
• Melting Point: -73 °C
• Refractive Index: n20/D 1.3875(lit.)
• Boiling Point: 141.1 °C at 760 mmHg
• Flash Point: 54.4 °C
• PSA: 43.37000
• Density: 1.136 g/cm³
• LogP: 0.09600
• Storage Temp.: Flammables area
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 108.069354525
• Heavy Atom Count: 7
• Complexity: 83.1

Purity/Quality:

99% ^*data from raw suppliers

Acetic Anhydride-d6 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 10-34-20/22
• Safety Statements: 26-45-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)OC(=O)C
• Isomeric SMILES: [2H]C([2H])([2H])C(=O)OC(=O)C([2H])([2H])[2H]
• Uses: Acetic Anhydride-d6 is the labeled analog of acetic anhydride, a reagent used generally in acetylation reactions in organic chemistry, primarily cellulose acetate and film material.

Technology Process of (2H3)Acetic anhydride

There total 5 articles about (2H3)Acetic 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:

tetradeuterioacetic acid (1186-52-3) → Acetic anhydride-d6 (16649-49-3)

Guidance literature:

With dicyclohexyl-carbodiimide; In dichloromethane; for 3h; Ambient temperature;

DOI:10.1039/P29880000117

Reference yield:

p-nitrophenyl acetate-d3 (81408-98-2) + CD3COO(1-)*K(1+)=CD3COOK (1941-22-6) → Acetic anhydride-d6 (16649-49-3) + potassium 4-nitrophenolate (1124-31-8)

Guidance literature:

With 18-crown-6 ether; In acetonitrile; at 20 ℃; Rate constant;

DOI:10.1021/jo00133a001

Reference yield:

tetradeuterioacetic acid (1186-52-3) + glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → Acetic anhydride-d6 (16649-49-3) + C8H11(2)H3O4 + C9H5(2)H9O6

Guidance literature:

With Isopropenyl acetate; at 30 ℃; for 24h; Mechanism;

DOI:10.1039/d0gc01775b

upstream raw materials:

[2H₃]acetyl chloride

sodium trideuterioacetate

tetradeuterioacetic acid

p-nitrophenyl acetate-d3

Downstream raw materials:

3-hydroxy-3-methylglutaric anhydride

methyl 3-O-<2,2,2-D3>acetyl-2,4,6-tri-O-benzoyl-β-D-galactopyranoside

methyl 6,2',3'-tri-O-acetyl-2,3,4'-tri-O-trideuterioacetyl-6'-O-trityl-β-cellobioside

methyl 6,2',3',4'-tetra-O-acetyl-2,3-di-O-trideuterioacetyl-6'-O-trityl-β-cellobioside

Refernces

• 1、 Cox,Esbitt. "". . p. 1636,1640. Retrieved 1963.
• 2、 Ellison,Kotsonis. "". . p. 133,134. Retrieved 1975.
• 3、 Brown, Jonathan W.,Clack, Dennis W.,Wilson, David A.. "Reactions of 3-Aryl-5-methyl-1,2,4-oxadiazoles with Benzyl Alcohol and with Benzylamine". . p. 117 - 122. Retrieved 2007/10/02.
• 4、 Kovach, Ildiko M.. "Kinetics and Some Equilibria of Transacylation between Oxy Anions in Aprotic Solvents". . p. 2235 - 2241. Retrieved 2007/10/02.