(S)-4-Isopropyl-3-propionyl-2-oxazolidinone - CAS 77877-19-1
Catalog: |
BB036062 |
Product Name: |
(S)-4-Isopropyl-3-propionyl-2-oxazolidinone |
CAS: |
77877-19-1 |
Synonyms: |
(4S)-3-(1-oxopropyl)-4-propan-2-yl-2-oxazolidinone; (4S)-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one |
IUPAC Name: | (4S)-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one |
Description: | (S)-4-Isopropyl-3-propionyl-2-oxazolidinone (CAS# 77877-19-1) is used as a reactant in the preparation of oxazolidinone derivatives as IL-6 signaling blockers. |
Molecular Weight: | 185.22 |
Molecular Formula: | C9H15NO3 |
Canonical SMILES: | CCC(=O)N1C(COC1=O)C(C)C |
InChI: | InChI=1S/C9H15NO3/c1-4-8(11)10-7(6(2)3)5-13-9(10)12/h6-7H,4-5H2,1-3H3/t7-/m1/s1 |
InChI Key: | HOWPHXVPNNPSAZ-SSDOTTSWSA-N |
Boiling Point: | 102-106 °C (0.75 mmHg) |
Flash Point: | 113 °C(235.4 °F) |
Purity: | 98 % |
Density: | 1.1 g/mL |
Appearance: | Colorless clear liquid |
MDL: | MFCD00043401 |
LogP: | 1.33770 |
Refractive Index: | 1.47 |
Publication Number | Title | Priority Date |
EP-3862023-A1 | Conjugates of cell-binding molecules with cytotoxic agents | 20200205 |
WO-2020258893-A1 | A formulation of a conjugate of a tubulysin analog to a cell-binding molecule | 20190624 |
WO-2020073345-A1 | Conjugation linkers containing 2,3-diaminosuccinyl group | 20181012 |
EP-3867250-A1 | Conjugation linkers containing 2,3-diaminosuccinyl group | 20181012 |
KR-20210076056-A | Conjugation linker containing 2,3-diaminosuccinyl group | 20181012 |
PMID | Publication Date | Title | Journal |
20734394 | 20101011 | Total syntheses of tubulysins | Chemistry (Weinheim an der Bergstrasse, Germany) |
Complexity: | 225 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 185.10519334 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 185.10519334 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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