Di-tert-butyl oxalate

Base Information

• Chemical Name: Di-tert-butyl oxalate
• CAS No.: 691-64-5
• Molecular Formula: C10H18O4
• Molecular Weight: 202.251
• Hs Code.: 2917119000
• European Community (EC) Number: 211-723-8
• UNII: GDT3TXT9FW
• DSSTox Substance ID: DTXSID20219157
• Nikkaji Number: J206.005A
• Wikidata: Q83096070
• Mol file: 691-64-5.mol

Synonyms:Di-tert-butyl oxalate;691-64-5;di-tert-butyloxalate;ditert-butyl oxalate;oxalic acid di-tert-butyl ester;Ethanedioic acid, bis(1,1-dimethylethyl) ester;EINECS 211-723-8;di-t-butyl oxalate;GDT3TXT9FW;SCHEMBL78520;Di-tert-butyl oxalate, 99%;Bis(1,1-dimethylethyl) oxalate;DTXSID20219157;Oxalic acid, di-tert-butyl ester;MFCD00008806;AKOS015915664;AS-18968;BP-12735;1,2-Bis(1,1-dimethylethyl) ethanedioate;CS-0154856;FT-0746485;A51144;EN300-194161;Ethanedioic acid, 1,2-bis(1,1-dimethylethyl) ester

Chemical Property of Di-tert-butyl oxalate

Chemical Property:

• Vapor Pressure: 0.07mmHg at 25°C
• Melting Point: 69-72 °C(lit.)
• Refractive Index: 1.43
• Boiling Point: 229.3 °C at 760 mmHg
• Flash Point: 90 °C
• PSA: 52.60000
• Density: 1.007 g/cm³
• LogP: 1.66980
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 202.12050905
• Heavy Atom Count: 14
• Complexity: 204

Purity/Quality:

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

Di-tert-butyl oxalate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)C(=O)OC(C)(C)C
• Uses: Di-tert-butyl oxalate was used in preparation of disodium salt of 2-[(dihydroxyphosphinyl) difluoromethyl] propenoic acid.

Technology Process of Di-tert-butyl oxalate

There total 6 articles about Di-tert-butyl oxalate 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: 100.0%

1,2-bis(tert-butoxy)acetylene (66478-63-5) → di-tert-butyl oxalate (691-64-5)

Guidance literature:

With oxygen; ozone; In dichloromethane; at -110 ℃; for 0.0833333h;

DOI:10.1002/1522-2675(20000705)83:7<1611::AID-HLCA1611>3.0.CO;2-L

Reference yield:

oxalyl dichloride (79-37-8) + tert-butyl alcohol (75-65-0) → di-tert-butyl oxalate (691-64-5)

Guidance literature:

With pyridine; diethyl ether; zuletzt in der Siedehitze;

Reference yield:

oxalic acid (144-62-7,97993-78-7) + isobutene (115-11-7,15220-85-6) → di-tert-butyl oxalate (691-64-5)

Guidance literature:

DOI:10.1007/BF00567991

upstream raw materials:

oxalyl dichloride

tert-butyl alcohol

oxalic acid

isobutene

Downstream raw materials:

<1S, 2S(RS)>-<1-(cyclohexylmethyl)-4-<<2-(4-morpholinyl)ethyl>amino>-4-oxo-2-<(tetrahydro-2H-pyran-2-yl)oxy>butyl>carbamic acid, 1,1-dimethylethyl ester

tert-butyl 2-(4-methoxyphenyl)-2-oxoacetate

N-[4-(4-Methoxy-phenyl)-thiazol-2-yl]-oxalamic acid tert-butyl ester

(S)-N-tert-butoxycarbonyl-2-amino-3-phenylpropanol

Refernces

• 1、 -. "Derivatives of imidazole, their preparation process, the new intermediates obtained, their use as medicaments and the pharmaceutical compositions containing them". . . Retrieved 2008/06/13.
• 2、 Shadrina, L. P.,Kazakov, A. F.,Dormidontov, Yu. P.,Pirogova, V. V.. "REACTION OF FLUORINATED ARYLMAGNESIUM HALIDES WITH DI-TERT-BUTYL OXALATE". . p. 2257 - 2259. Retrieved 2007/10/02.