N-Boc-2-(methylamino)acetaldehyde - CAS 123387-72-4
Catalog: |
BB005673 |
Product Name: |
N-Boc-2-(methylamino)acetaldehyde |
CAS: |
123387-72-4 |
Synonyms: |
N-methyl-N-(2-oxoethyl)carbamic acid tert-butyl ester; tert-butyl N-methyl-N-(2-oxoethyl)carbamate |
IUPAC Name: | tert-butyl N-methyl-N-(2-oxoethyl)carbamate |
Description: | N-Boc-2-(methylamino)acetaldehyde (CAS# 123387-72-4) is a reactant used in the synthesis of dihydroisoquinolinone derivatives as selective mdm2 inhibitors. Also used in the synthesis of biological activity of gold complexes modified with thiourea functionalized tyrosine kinase inhibitors. |
Molecular Weight: | 173.21 |
Molecular Formula: | C8H15NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)N(C)CC=O |
InChI: | InChI=1S/C8H15NO3/c1-8(2,3)12-7(11)9(4)5-6-10/h6H,5H2,1-4H3 |
InChI Key: | MSWTVSDFEYSRMQ-UHFFFAOYSA-N |
Boiling Point: | 218.2 ℃ at 760 mmHg |
Density: | 1.026 g/cm3 |
Solubility: | Slightly miscible with water. |
Appearance: | Yellow liquid |
Storage: | Inert atmosphere, Store in freezer, under -20 ℃ |
MDL: | MFCD08064267 |
LogP: | 1.05220 |
GHS Hazard Statement: | H302 (16.67%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021204159-A1 | Menin inhibitors and methods of use for treating cancer | 20200408 |
US-2021315896-A1 | Indazole based compounds and associated methods of use | 20200321 |
WO-2021194879-A1 | Indazole based compounds and associated methods of use | 20200321 |
WO-2021170797-A1 | PYRIMIDO[5,4-d]PYRIMIDINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS | 20200226 |
WO-2021121327-A1 | Substituted straight chain spiro derivatives | 20191219 |
Complexity: | 172 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 173.10519334 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 173.10519334 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 46.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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