Trimethylacetic anhydride

Base Information

• Chemical Name: Trimethylacetic anhydride
• CAS No.: 1538-75-6
• Molecular Formula: C10H18O3
• Molecular Weight: 186.251
• Hs Code.: 29159000
• European Community (EC) Number: 216-263-1
• DSSTox Substance ID: DTXSID601014577
• Nikkaji Number: J137F
• Mol file: 1538-75-6.mol

Synonyms:pivalic anhydride

Chemical Property of Trimethylacetic anhydride

Chemical Property:

• Appearance/Colour: clear colourless liquid
• Vapor Pressure: 0.475mmHg at 25°C
• Refractive Index: n20/D 1.409(lit.)
• Boiling Point: 193 °C at 760 mmHg
• Flash Point: 57.2 °C
• PSA: 43.37000
• Density: 0.958 g/cm³
• LogP: 2.14840
• Storage Temp.: Store at RT.
• Sensitive.: Moisture Sensitive
• Solubility.: Miscible with acetonitrile.
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 186.125594432
• Heavy Atom Count: 13
• Complexity: 191

Purity/Quality:

98% ^*data from raw suppliers

TrimethylaceticAnhydride1538-75-6 ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Acid Anhydrides, Other
• Canonical SMILES: CC(C)(C)C(=O)OC(=O)C(C)(C)C
• Uses: A metabolite of a double prodrug (6-dGCV-DPiv Trimethylacetic anhydride was used:in solid-phase oligonucleotide synthesisin kinetic resolution of racemic 2-hydroxy-γ-butyrolactones with diphenylacetic acidas acylation and esterification reagent for anilinesas acylation and esterification reagent for phenols

Technology Process of Trimethylacetic anhydride

There total 51 articles about Trimethylacetic 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: 96.0%

pivaloyl chloride (3282-30-2) + Trimethylacetic acid (75-98-9) → 2,2-dimethylpropanoic anhydride (1538-75-6)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; for 1h; Inert atmosphere;

DOI:10.1039/c9nj01984g

Reference yield: 96.0%

N-(chlorosulfinyl)diphenylketimine (56070-03-2) + Trimethylacetic acid (75-98-9) → 2,2-dimethylpropanoic anhydride (1538-75-6)

Guidance literature:

In dichloromethane; for 2h; Ambient temperature;

Reference yield: 90.0%

Trimethylacetic acid (75-98-9) → 2,2-dimethylpropanoic anhydride (1538-75-6)

Guidance literature:

With triethylamine; Phenyl N-phenylphosphoramidochloridate; In dichloromethane; for 1h; Ambient temperature;

DOI:10.1055/s-1981-29391

upstream raw materials:

tert-butylmagnesium chloride

pivaloyl chloride

Trimethylacetic acid

acetyl chloride

Downstream raw materials:

1-(furan-2-yl)-2,2-dimethylpropan-1-one

tert-butylbenzene

2,2-dimethylpropionamide

5-tert-butyl-3-(3-chloro-4-fluoro-phenyl)-3H-[1,3,4]oxadiazol-2-one