Dicetyl carbonate

Base Information

• Chemical Name: Dicetyl carbonate
• CAS No.: 13784-52-6
• Molecular Formula: C₃₃H₆₆O₃
• Molecular Weight: 510.885
• UNII: 8O8C8IXT3Z
• Nikkaji Number: J1.298.000K
• Wikidata: Q27270810
• Mol file: 13784-52-6.mol

Synonyms:dicetyl carbonate;dihexadecyl carbonate;8O8C8IXT3Z;1-Hexadecanol, 1,1'-carbonate;1-Hexadecanol, carbonate (2:1);UNII-8O8C8IXT3Z;13784-52-6;Hexadecylkarbonat;SCHEMBL735275;RAIOXDBEGGPDRH-UHFFFAOYSA-N;Q27270810

Chemical Property of Dicetyl carbonate

Chemical Property:

• XLogP3: 16
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 32
• Exact Mass: 510.50119596
• Heavy Atom Count: 36
• Complexity: 374

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCOC(=O)OCCCCCCCCCCCCCCCC

Technology Process of Dicetyl carbonate

There total 1 articles about Dicetyl carbonate 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: 83.0%

cetyl chloroformate (26272-90-2) + 1-iodo-3-phenylpropan (4119-41-9) → Kohlensaeure-di-n-hexadecylester (13784-52-6) + 1.7-Diphenylheptan-4-one (63434-46-8)

Guidance literature:

With [2,2]bipyridinyl; chloro-trimethyl-silane; nickel(II) bromide 2-methoxyethyl ether complex; zinc; In tetrahydrofuran; N,N-dimethyl acetamide; at 40 ℃; for 1h; Sealed tube; Inert atmosphere;

DOI:10.1002/anie.201903330

Reference yield: 67.9%

Kohlensaeure-di-n-hexadecylester (13784-52-6) + 2-bromo-5-methylbenzamide (101421-61-8) → hexadecyl-2-bromo-5-methylbenzoyl-carbamate

Guidance literature:

With dmap; In dichloromethane; at 20 ℃; for 18h;

Reference yield:

Kohlensaeure-di-n-hexadecylester (13784-52-6) → 2-hexadecyloxy-6-methyl-4-chloro-1-benzoxazin-4-one (282526-98-1,335149-24-1)

Guidance literature:

Multi-step reaction with 2 steps

1: dmap / dichloromethane / 18 h / 20 °C

2: copper(I) bromide; magnesium sulfate / toluene / 3 h / Inert atmosphere; Reflux

With dmap; magnesium sulfate; copper(I) bromide; In dichloromethane; toluene;

upstream raw materials:

cetyl chloroformate

1-iodo-3-phenylpropan

Downstream raw materials:

2-hexadecyloxy-6-methyl-4-chloro-1-benzoxazin-4-one