(S)-(-)-3-Boc-2,2-dimethyloxazolidine-4-carboxaldehyde - CAS 102308-32-7
Catalog: |
BB000832 |
Product Name: |
(S)-(-)-3-Boc-2,2-dimethyloxazolidine-4-carboxaldehyde |
CAS: |
102308-32-7 |
Synonyms: |
tert-butyl (4S)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate |
IUPAC Name: | tert-butyl (4S)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate |
Description: | (S)-(-)-3-Boc-2,2-dimethyloxazolidine-4-carboxaldehyde (CAS# 102308-32-7) is used to prepare γ-aminophosphonates (N-arylamide phosphonates as subtype-selective sphingosine 1-phosphate receptor agonists and antagonists. It is also used to synthesize N-sulfonylated propargylglycine derivatives as metalloproteinase inhibitors. |
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/t8-/m1/s1 |
InChI Key: | PNJXYVJNOCLJLJ-MRVPVSSYSA-N |
Boiling Point: | 97 °C / 1.5 mmHg |
Flash Point: | 108 °C(226.4 °F) |
Purity: | 95 % |
Density: | 1.06 g/cm3 |
Appearance: | Colorless liquid |
Storage: | Inert atmosphere. Keep cold. |
MDL: | MFCD00209557 |
LogP: | 1.49520 |
Refractive Index: | 1.45 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
23039096 | 20121102 | Total synthesis and structural revision of lucentamycin A | The Journal of organic chemistry |
22827338 | 20120907 | Diastereodivergent hydroxyfluorination of cyclic and acyclic allylic amines: synthesis of 4-deoxy-4-fluorophytosphingosines | The Journal of organic chemistry |
22642500 | 20120615 | Synthesis and utility of β-selenol-phenylalanine for native chemical ligation-deselenization chemistry | Organic letters |
21264408 | 20110321 | Asymmetric synthesis of Pachastrissamine (Jaspine B) and its diastereomers via η3-allylpalladium intermediates | Organic & biomolecular chemistry |
20597471 | 20100806 | Total synthesis of syringolin A | Organic letters |
Complexity: | 293 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
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 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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