3-Methyl-1-(triphenylphosphoranylidene)butan-2-one - CAS 19753-67-4
Catalog: |
BB059296 |
Product Name: |
3-Methyl-1-(triphenylphosphoranylidene)butan-2-one |
CAS: |
19753-67-4 |
Synonyms: |
(3-Methyl-2-oxobutylidene)triphenylphosphorane; Isobutyrylmethylenetriphenylphosphorane; 3-Methyl-1-(triphenylphosphoranylidene)-2-butanone |
IUPAC Name: | 3-methyl-1-(triphenyl-λ5-phosphanylidene)butan-2-one |
Description: | 3-Methyl-1-(triphenylphosphoranylidene)butan-2-one is a reactant used in the synthesis of antibiotics and antimicrobials. |
Molecular Weight: | 346.4 |
Molecular Formula: | C23H23OP |
Canonical SMILES: | CC(C)C(=O)C=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 |
InChI: | InChI=1S/C23H23OP/c1-19(2)23(24)18-25(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-19H,1-2H3 |
InChI Key: | BNMPDHMKOXPYAY-UHFFFAOYSA-N |
Melting Point: | 175-177°C |
Solubility: | DMSO (Slightly), Methanol (Slightly) |
Appearance: | White to Off-White Solid |
Storage: | 4°C, Inert atmosphere |
References: | Shu, Y., et. al. Steroids, 67, 291 (2002); Hanadate, T., et. al. Biosci. Biotech. Bioch., 64, 1671 (2000). |
Complexity: | 422 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 346.148652351 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 346.148652351 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 17.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.6 |
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