Di-tert-amyl dicarbonate

Base Information

• Chemical Name: Di-tert-amyl dicarbonate
• CAS No.: 68835-89-2
• Molecular Formula: C12H22O5
• Molecular Weight: 246.304
• DSSTox Substance ID: DTXSID70988543
• Nikkaji Number: J332.635G
• Wikidata: Q72469960
• Mol file: 68835-89-2.mol

Synonyms:Di-tert-amyl dicarbonate;68835-89-2;Di-tert-pentyl dicarbonate;Di-tert-amyl pyrocarbonate;2-methylbutan-2-yl 2-methylbutan-2-yloxycarbonyl Carbonate;BIS(2-METHYLBUTAN-2-YL) DICARBONATE;Pyrocarbonic Acid Di-tert-amyl Ester;(Amoc)2O;Dicarbonic acid, bis(1,1-dimethylpropyl) ester;di-t-amyl pyrocarbonate;SCHEMBL47990;Di-tert-amyl dicarbonate, 97%;DTXSID70988543;PGWKKYVDHYLHNF-UHFFFAOYSA-N;MFCD00038320;AKOS024259135;AS-60215;CS-0204710;FT-0655139;P1356;A836262;1,1-dimethylpropoxycarbonyl 1,1-dimethylpropyl carbonate

Chemical Property of Di-tert-amyl dicarbonate

Chemical Property:

• Vapor Pressure: 0.00104mmHg at 25°C
• Refractive Index: n20/D 1.422(lit.)
• Boiling Point: 70 °C0.05 mm Hg(lit.)
• Flash Point: 220 °F
• PSA: 61.83000
• Density: 1.006 g/mL at 25 °C(lit.)
• LogP: 3.65340
• Storage Temp.: 2-8°C
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 246.14672380
• Heavy Atom Count: 17
• Complexity: 253

Purity/Quality:

98%,99%, ^*data from raw suppliers

Di-tert-amyl Dicarbonate ^*data from reagent suppliers

Safty Information:

• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC(C)(C)OC(=O)OC(=O)OC(C)(C)CC

Technology Process of Di-tert-amyl dicarbonate

There total 2 articles about Di-tert-amyl dicarbonate 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: 81.0%

carbon dioxide (124-38-9,18923-20-1) → di-tert-amyl dicarbonate (68835-89-2)

Guidance literature:

carbon dioxide; With pyridine; benzyltrimethylammonium chloride; p-toluenesulfonyl chloride; In toluene;

With sulfuric acid; In water; for 0.5h;

Reference yield:

→ di-tert-amyl dicarbonate (68835-89-2)

Guidance literature:

Na-tert-amylcarbonat, Trichloracetylchlorid;

Reference yield: 100.0%

C22H22N4O3 + di-tert-amyl dicarbonate (68835-89-2) → 1,1-dimethylpropyl 4-(2-{[4-(5-cyano-7-methyl-1,3-benzoxazol-2-yl)phenyl]amino}-2-oxoethoxy)piperidine-1-carboxylate

Guidance literature:

With triethylamine; In dichloromethane;

DOI:10.1016/j.bmcl.2010.10.062

upstream raw materials:

carbon dioxide

Downstream raw materials:

N-Amoc-DL-α-methyl tryptophan

N^α-tert-amyloxycarbonyl-N^im-tritylhistidine

C₄₈H₆₁Cl₆NO₁₈

1,1-dimethylpropyl (+/-)-<1-(1H-indol-3-ylmethyl)-1-methyl-2-oxo-2-<(phenylethyl)amino>ethyl>carbamate

Refernces