Di-tert-butyl Azodicarboxylate - CAS 870-50-8
Catalog: |
BB038185 |
Product Name: |
Di-tert-butyl Azodicarboxylate |
CAS: |
870-50-8 |
Synonyms: |
(NE)-N-[(2-methylpropan-2-yl)oxy-oxomethyl]iminocarbamic acid tert-butyl ester; tert-butyl (NE)-N-[(2-methylpropan-2-yl)oxycarbonylimino]carbamate |
IUPAC Name: | tert-butyl (NE)-N-[(2-methylpropan-2-yl)oxycarbonylimino]carbamate |
Description: | Di-tert-butyl Azodicarboxylate (CAS# 870-50-8) is a reagent used in the preparation of acyl hydrazinedicarboxylates via photoorganocatalytic hydroacylation of dialkyl azodicarboxylates with aldehydes in presence of phenylglyoxylic acid as photocatalyst. |
Molecular Weight: | 230.26 |
Molecular Formula: | C10H18N2O4 |
Canonical SMILES: | CC(C)(C)OC(=O)N=NC(=O)OC(C)(C)C |
InChI: | InChI=1S/C10H18N2O4/c1-9(2,3)15-7(13)11-12-8(14)16-10(4,5)6/h1-6H3/b12-11+ |
InChI Key: | QKSQWQOAUQFORH-VAWYXSNFSA-N |
Boiling Point: | 287.1 °C at 760 mmHg |
Density: | 1.06 g/cm3 |
MDL: | MFCD00015001 |
LogP: | 3.30880 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22708894 | 20121003 | Formation of an unusual four-membered nitrogen ring (tetrazetidine) radical cation | Journal of the American Chemical Society |
22231285 | 20120214 | Direct amination of α-substituted nitroacetates using di-tert-butyl azodicarboxylate catalyzed by Hatakeyama's catalyst β-ICD | Organic & biomolecular chemistry |
21977901 | 20120203 | Two-step route to indoles and analogues from haloarenes: a variation on the Fischer indole synthesis | The Journal of organic chemistry |
22423295 | 20120101 | Synthesis of oleophilic electron-rich phenylhydrazines | Beilstein journal of organic chemistry |
21988148 | 20111104 | Stereoselective organocatalytic one-pot α,α-bifunctionalization of acetaldehyde by a tandem Mannich reaction/electrophilic amination | Organic letters |
Complexity: | 267 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 230.12665706 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 230.12665706 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 77.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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