1,2-di-tert-Butyl 1,2,3,6-tetrahydropyridazine-1,2-dicarboxylate - CAS 13051-19-9
Catalog: |
BB073075 |
Product Name: |
1,2-di-tert-Butyl 1,2,3,6-tetrahydropyridazine-1,2-dicarboxylate |
CAS: |
13051-19-9 |
Synonyms: |
di-tert-butyl 3,6-dihydropyridazine-1,2-dicarboxylate; ditert-butyl 3,6-dihydropyridazine-1,2-dicarboxylate; 1,2-Pyridazinedicarboxylic acid, 3,6-dihydro-, 1,2-bis(1,1-dimethylethyl) ester; 1,2-di-tert-butyl 1,2,3,6-tetrahydropyridazine-1,2-dicarboxylate |
IUPAC Name: | ditert-butyl 3,6-dihydropyridazine-1,2-dicarboxylate |
Description: | 1,2-di-tert-butyl 1,2,3,6-tetrahydropyridazine-1,2-dicarboxylate is a useful intermediate employed in the organic synthesis processes. |
Molecular Weight: | 284.35 |
Molecular Formula: | C14H24N2O4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CC=CCN1C(=O)OC(C)(C)C |
InChI: | InChI=1S/C14H24N2O4/c1-13(2,3)19-11(17)15-9-7-8-10-16(15)12(18)20-14(4,5)6/h7-8H,9-10H2,1-6H3 |
InChI Key: | ZQCNMSTXSXKVNU-UHFFFAOYSA-N |
References: | Altman, L. J., et al. Org. Prep. Proced. Int., 7, 35 (1975); Carpino, L. A. et al. J. Org. Chem., 31, 2867 (1966). |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 366 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 284.17360725 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 284.17360725 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 59.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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