Acetic anhydride-1,1'-13C2

Base Information

• Chemical Name: Acetic anhydride-1,1'-13C2
• CAS No.: 90980-78-2
• Molecular Formula: C4H6 O3
• Molecular Weight: 104.068
• European Community (EC) Number: 685-837-5
• Mol file: 90980-78-2.mol

Synonyms:Acetic anhydride-1,1'-13C2;90980-78-2;SCHEMBL1331774;Acetic anhydride(1,1-13c2);Acetic anhydride-1,1'-13C2, 99 atom % 13C

Chemical Property of Acetic anhydride-1,1'-13C2

Chemical Property:

• Melting Point: -73 °C(lit.)
• Refractive Index: n20/D 1.39(lit.)
• Boiling Point: 138-140 °C(lit.)
• Flash Point: 130 °F
• PSA: 43.37000
• Density: 1.101 g/mL at 25 °C
• LogP: 0.09600
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 104.03840372
• Heavy Atom Count: 7
• Complexity: 83.1

Purity/Quality:

99% ^*data from raw suppliers

Acetic anhydride-1,1′-13C2 99 atom % ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC(=O)C
• Isomeric SMILES: C[13C](=O)O[13C](=O)C

Technology Process of Acetic anhydride-1,1'-13C2

There total 2 articles about Acetic anhydride-1,1'-13C2 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:

[1-13C]-acetic acid (1563-79-7) → acetic anhydride-1,1'-13C2 (90980-78-2)

Guidance literature:

With dicyclohexyl-carbodiimide; In dichloromethane; at 20 ℃; for 0.5h;

DOI:10.1080/07328300600778785

Reference yield:

→ acetic anhydride-1,1'-13C2 (90980-78-2)

Guidance literature:

(1-¹³C)-Natriumacetat, p-Toluolsulfochlorid;

Reference yield:

2,3-dimethoxy-5-methylbenzene-1,4-diol (3066-90-8) + acetic anhydride-1,1'-13C2 (90980-78-2) → C11(13)C2H16O6

Guidance literature:

for 2h; Heating;

DOI:10.1016/j.chemphyslip.2004.04.007

upstream raw materials:

[1-13C]-acetic acid

Downstream raw materials:

[1-¹³C]acetic acid 4-nitro-phenyl ester