Di-tert-butyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate - CAS 55536-71-5
Catalog: |
BB029079 |
Product Name: |
Di-tert-butyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate |
CAS: |
55536-71-5 |
Synonyms: |
ditert-butyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate |
IUPAC Name: | ditert-butyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate |
Description: | Di-tert-butyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (CAS# 55536-71-5) is a useful research chemical. |
Molecular Weight: | 309.40 |
Molecular Formula: | C17H27NO4 |
Canonical SMILES: | CC1=C(CC(=C(N1)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C |
InChI: | InChI=1S/C17H27NO4/c1-10-12(14(19)21-16(3,4)5)9-13(11(2)18-10)15(20)22-17(6,7)8/h18H,9H2,1-8H3 |
InChI Key: | WSWDAKKWVAVVAI-UHFFFAOYSA-N |
Boiling Point: | 389.9 ℃ at 760 mmHg |
Melting Point: | 142-149 ℃ |
Purity: | 95 % |
Density: | 1.047 g/cm3 |
Appearance: | White to yellow to tan powder, crystals or crystalline powder and chunks |
LogP: | 3.53990 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111454150-A | Synthesis method of (S) -2-aryl propionate compound | 20191225 |
JP-2020002069-A | Method for producing α-carbagalactos compound | 20180628 |
AU-2014302365-A1 | Primary carboxamides as BTK inhibitors | 20130626 |
BR-112015032330-B1 | primary carboxamides as bkt inhibitors | 20130626 |
DK-3013337-T3 | PRIMARY CARBOXAMIDES AS BTK INHIBITORS | 20130626 |
Complexity: | 494 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 309.19400834 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 309.19400834 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 64.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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