Diisopropyl azodicarboxylate 98% supplier in China CAS NO.2446-83-5

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1.Introduction of Diisopropyl azodicarboxylate

Diisopropyl azodicarboxylate (DIAD) is the diisopropyl ester of azodicarboxylic acid. It is used as a reagent in the production of many organic compounds. It is often used in the Mitsunobu reaction where it serves as an oxidizer of triphenylphosphine to triphenylphosphine oxide. It has also been used to generate aza-Baylis-Hillman adducts with acrylates. It can also serve as a selective deprotectant of N-benzyl groups in the presence of other protecting groups.

It is sometimes preferred to diethyl azodicarboxylate (DEAD) because it is more hindered, and thus will not form hydrazide byproducts.

2.Descriptors of Diisopropyl azodicarboxylate

IUPAC Name: propan-2-yl (NE)-N-propan-2-yloxycarbonyliminocarbamateInChI: InChI=1S/C8H14N2O4/c1-5(2)13-7(11)9-10-8(12)14-6(3)4/h5-6H,1-4H3/b10-9+

InChIKey: VVWRJUBEIPHGQF-MDZDMXLPSA-N

Canonical SMILES : CC(C)OC(=O)N=NC(=O)OC(C)CIsomeric SMILES: CC(C)OC(=O)/N=N/C(=O)OC(C)C

3. Properties of Diisopropyl azodicarboxylate

Molecular Weight 202.20776 [g/mol]
Molecular Formula C8H14N2O4
XLogP3-AA 2.6
H-Bond Acceptor 4
Rotatable Bond Count 4
Exact Mass 202.095357
MonoIsotopic Mass 202.095357
Topological Polar Surface Area 77.3
Heavy Atom Count 14
Complexity 212 
Defined Bond Stereocenter Count 1
Covalently-Bonded Unit Count 1
Feature 3D Acceptor Count 2
Feature 3D Donor Count 2
Feature 3D Hydrophobe Count 2
Effective Rotor Count 6
Conformer Sampling RMSD 0.6
CID Conformer Count 184