Di-tert-butoxy carbonate

Base Information

• Chemical Name: Di-tert-butoxy carbonate
• CAS No.: 3236-56-4
• Molecular Formula: C₉H₁₈O₅
• Molecular Weight: 206.239
• DSSTox Substance ID: DTXSID801271892
• Nikkaji Number: J1.452.546G
• Mol file: 3236-56-4.mol

Synonyms:di-tert-butoxy carbonate;di-t-butoxy carbonate;3236-56-4;di-t-butyl diperoxycarbonate;di-t-butyldiperoxy-carbonate;SCHEMBL303730;carbonic acid ditert-butoxy ester;XYPOZZARRUPZNK-UHFFFAOYSA-N;DTXSID801271892;Bis(1,1-dimethylethyl) carbonodiperoxoate;bis[(2-methylpropan-2-yl)oxy] carbonate

Chemical Property of Di-tert-butoxy carbonate

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 206.11542367
• Heavy Atom Count: 14
• Complexity: 166

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): 3
• Hazard Codes: 3

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)OOC(=O)OOC(C)(C)C

Technology Process of Di-tert-butoxy carbonate

There total 9 articles about Di-tert-butoxy 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:

imidazolyl percarboxylate de t-butyle (69945-20-6) + cyclohexanol (108-93-0) → dipercarbonate de O,O-t-butyle (3236-56-4) + percarbonate de O,O-t-butyl et O-cyclohexyl (21690-93-7)

Guidance literature:

In tetrahydrofuran; Yield given; 1.) 0 deg C, 2.) rt, overnight;

Reference yield:

imidazolyl percarboxylate de t-butyle (69945-20-6) + isopropyl alcohol (67-63-0,8013-70-5) → dipercarbonate de O,O-t-butyle (3236-56-4) + OO-tert-butyl O-isopropyl monoperoxycarbonate (2372-21-6)

Guidance literature:

In tetrahydrofuran; Yield given; 1.) 0 deg C, 2.) rt, overnight;

Reference yield:

tert.-butylhydroperoxide (75-91-2) + phosgene (75-44-5) → dipercarbonate de O,O-t-butyle (3236-56-4)

Guidance literature:

With pyridine; diethyl ether;

DOI:10.1002/1522-2640(200011)72:11<1382::AID-CITE1382>3.0.CO;2-Y

upstream raw materials:

tert.-butylhydroperoxide

phosgene

methanol

imidazolyl percarboxylate de t-butyle

Downstream raw materials:

⁽³⁾-[4-(tert-Butoxycarbonylamino)phenyl]-propenoic acid methyl ester

(2S,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

1-tert-Butyl 4-methyl piperidine-1,4-dicarboxylate

3-(1-tert-butyloxycarbonyl-4-piperidyl)-5-cyano-1-(4-fluorophenyl)-1H-indole

Refernces