3-Boc-2,2-dimethyloxazolidine-4-carbaldehyde - CAS 127589-93-9
Catalog: |
BB006812 |
Product Name: |
3-Boc-2,2-dimethyloxazolidine-4-carbaldehyde |
CAS: |
127589-93-9 |
Synonyms: |
4-formyl-2,2-dimethyl-3-oxazolidinecarboxylic acid tert-butyl ester; tert-butyl 4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate |
IUPAC Name: | tert-butyl 4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate |
Description: | 3-Boc-2,2-dimethyloxazolidine-4-carbaldehyde (CAS# 127589-93-9) is a reagent used in the preparation of unsaturated carboxylic esters. |
Molecular Weight: | 229.27 |
Molecular Formula: | C11H19NO4 |
Canonical SMILES: | CC1(N(C(CO1)C=O)C(=O)OC(C)(C)C)C |
InChI: | InChI=1S/C11H19NO4/c1-10(2,3)16-9(14)12-8(6-13)7-15-11(12,4)5/h6,8H,7H2,1-5H3 |
InChI Key: | PNJXYVJNOCLJLJ-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 °C |
MDL: | MFCD04221008 |
LogP: | 1.49520 |
Publication Number | Title | Priority Date |
US-2021009262-A1 | Tetracyclic heterocycle compounds useful as hiv integrase inhibitors | 20190620 |
US-2020323821-A1 | Pyrrole compounds | 20190403 |
WO-2020205934-A1 | Pyrrole compounds | 20190403 |
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US-2020306225-A1 | Stable n-((1r,2r)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1-hydroxy-3-(pyrrolidin-1-yl)propan-2-yl) octanamide (2r,3r)-2,3-dihydroxysuccinate premix and process for preparation thereof | 20171027 |
Complexity: | 293 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.13140809 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.13140809 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.8 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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