(S)-(+)-4-Benzyl-3-propionyl-2-oxazolidinone - CAS 101711-78-8
Catalog: |
BB000618 |
Product Name: |
(S)-(+)-4-Benzyl-3-propionyl-2-oxazolidinone |
CAS: |
101711-78-8 |
Synonyms: |
(4S)-3-(1-oxopropyl)-4-(phenylmethyl)-2-oxazolidinone; (4S)-4-benzyl-3-propanoyl-1,3-oxazolidin-2-one |
IUPAC Name: | (4S)-4-benzyl-3-propanoyl-1,3-oxazolidin-2-one |
Description: | (S)-4-Benzyl-3-propionyloxazolidin-2-one (CAS# 101711-78-8) is an intermediate in the preparation of Albaconazole (A511450). |
Molecular Weight: | 233.26 |
Molecular Formula: | C13H15NO3 |
Canonical SMILES: | CCC(=O)N1C(COC1=O)CC2=CC=CC=C2 |
InChI: | InChI=1S/C13H15NO3/c1-2-12(15)14-11(9-17-13(14)16)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3/t11-/m0/s1 |
InChI Key: | WHOBYFHKONUTMW-NSHDSACASA-N |
Boiling Point: | 396.6 ℃ at 760 mmHg |
Melting Point: | 44-46 ℃ |
Purity: | 99 % |
Density: | 1.206 g/cm3 |
Appearance: | Powder or crystals |
Storage: | Room temperature. |
MDL: | MFCD00269688 |
LogP: | 1.92440 |
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 |
Publication Number | Title | Priority Date |
KR-20210081285-A | Novel Amide Derivatives and Their Use as Inhibitors against Diacylglycerol Acyltransferase 2 | 20191223 |
WO-2021133038-A1 | Novel amide derivative useful as diacylglycerol acyltransferase 2 inhibitor, and use thereof | 20191223 |
WO-2020260252-A1 | New macrocyclic compounds and derivatives as egfr inhibitors | 20190624 |
WO-2020037009-A1 | Conjugates and methods of using the same | 20180813 |
EP-3836971-A1 | Conjugates and methods of using the same | 20180813 |
PMID | Publication Date | Title | Journal |
22270625 | 20111120 | A biomimetic polyketide-inspired approach to small-molecule ligand discovery | Nature chemistry |
Complexity: | 297 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 233.10519334 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 233.10519334 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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