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1423-60-5 | 3-Butyn-2-one (6CI,7CI,8CI,9CI)
CAS No: 1423-60-5 Catalog No: AG001I5F MDL No:MFCD00008775
Product Description
Catalog Number:
AG001I5F
Chemical Name:
3-Butyn-2-one (6CI,7CI,8CI,9CI)
CAS Number:
1423-60-5
Molecular Formula:
C4H4O
Molecular Weight:
68.0740
MDL Number:
MFCD00008775
IUPAC Name:
but-3-yn-2-one
InChI:
InChI=1S/C4H4O/c1-3-4(2)5/h1H,2H3
InChI Key:
XRGPFNGLRSIPSA-UHFFFAOYSA-N
SMILES:
CC(=O)C#C
EC Number:
215-834-2
Properties
Complexity:
83.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
68.026g/mol
Formal Charge:
0
Heavy Atom Count:
5
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
68.075g/mol
Monoisotopic Mass:
68.026g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| Asymmetric [3 + 2] annulation of N-protected isatins with but-3-yn-2-one catalyzed by DIOP: facile creation of enantioenriched spiro[furan-2,3'-indoline]-2',4(5H)-dione. | Organic & biomolecular chemistry 20121028 |
| Chiral aminophosphines as catalysts for enantioselective double-Michael indoline syntheses. | Molecules (Basel, Switzerland) 20120101 |
| Bach adsorption study for the extraction of silver ions by hydrazone compounds from aqueous solution. | TheScientificWorldJournal 20120101 |
| Total syntheses of zaragozic acids A and C by a carbonyl ylide cycloaddition strategy. | Chemistry (Weinheim an der Bergstrasse, Germany) 20061204 |
| Synthesis and biological evaluation of a novel class of rofecoxib analogues as dual inhibitors of cyclooxygenases (COXs) and lipoxygenases (LOXs). | Bioorganic & medicinal chemistry 20061201 |
| Synthesis of substituted chromenes through the DABCO-catalyzed reaction of but-3-yn-2-one and methyl propiolate with salicyl N-tosylimines (DABCO = 1,4-diazabicyclo[2.2.2]octane). | Chemistry (Weinheim an der Bergstrasse, Germany) 20060412 |
| Aza-Baylis-Hillman reactions of N-tosylated aldimines with activated allenes and alkynes in the presence of various Lewis base promoters. | The Journal of organic chemistry 20051125 |
| Formation of a tetra-sigma-bonded intermediate in acetylethyne binding on Si(100)-2 x 1. | Langmuir : the ACS journal of surfaces and colloids 20050412 |
| Formation of molecular templates containing cumulative double bonds (C=C=C) at organic/silicon hybrid interfaces. | The journal of physical chemistry. B 20050324 |
| Straightforward asymmetric entry to highly functionalized 3-substituted 3-hydroxy-beta-lactams via Baylis-Hillman or bromoallylation reactions. | The Journal of organic chemistry 20040206 |
| Chalcogenide-Lewis acid mediated reactions of electron-deficient alkynes with aldehydes. | Chemistry (Weinheim an der Bergstrasse, Germany) 20030404 |
| Addition of bromine chloride and iodine monochloride to carbonyl-conjugated, acetylenic ketones: synthesis and mechanisms. | The Journal of organic chemistry 20020405 |
| Short total syntheses of both the putative and actual structures of the clerodane diterpenoid (+/-)-sacacarin by double annulation. | Organic letters 20011213 |
| A heterocycle-forming double michael reaction. [5 + 1] annulation route to highly substituted and functionalized piperidines. | Organic letters 20010906 |
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