1-(1,1-Dimethylethyl) 4-methyl-5-oxo-1,2-piperazinedicarboxylate - CAS 1822579-90-7
Catalog: |
BB062700 |
Product Name: |
1-(1,1-Dimethylethyl) 4-methyl-5-oxo-1,2-piperazinedicarboxylate |
CAS: |
1822579-90-7 |
Synonyms: |
1-[(tert-butoxy)carbonyl]-4-methyl-5-oxopiperazine-2-carboxylic acid; 1-(tert-butoxycarbonyl)-4-methyl-5-oxopiperazine-2-carboxylic acid; 4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperazine-2-carboxylic acid |
IUPAC Name: | 4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperazine-2-carboxylic acid |
Description: | 1-(1,1-Dimethylethyl) 4-methyl-5-oxo-1,2-piperazinedicarboxylate is used in preparation of Heterocyclic compounds used in the treatment of kinetoplastid infection. |
Molecular Weight: | 258.27 |
Molecular Formula: | C11H18N2O5 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CC(=O)N(CC1C(=O)O)C |
InChI: | InChI=1S/C11H18N2O5/c1-11(2,3)18-10(17)13-6-8(14)12(4)5-7(13)9(15)16/h7H,5-6H2,1-4H3,(H,15,16) |
InChI Key: | JCWVJGRONWQGDE-UHFFFAOYSA-N |
References: | Biancofiore, I., et al. PCT Int. Appl., (2016). |
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 |
Publication Number | Title | Priority Date |
EP-3558980-A1 | Compounds for use in the treatment of kinetoplastid infection | 20161223 |
US-2020095232-A1 | Compounds for use in the treatment of kinetoplastid infection | 20161223 |
WO-2018115275-A1 | Compounds for use in the treatment of kinetoplastid infection | 20161223 |
US-10815222-B2 | Compounds for use in the treatment of kinetoplastid infection | 20161223 |
EP-3558980-B1 | Compounds for use in the treatment of kinetoplastid infection | 20161223 |
Complexity: | 374 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 258.12157168 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 258.12157168 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 87.2Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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