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Alpha-Beta-ungesättigte Carbonylverbindungen

Organische Verbindungen, die aus einem Alken (Kohlenstoff-Kohlenstoff-Doppelbindung) bestehen, das mit einer funktionellen Ketongruppe benachbart ist; auch als Enon bekannt.
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1

Tris(Dibenzylidenaceton)dipalladium(0), 97 %, Thermo Scientific Chemicals

CAS: 51364-51-3 Summenformel: C51H42O3Pd2 Molekulargewicht (g/mol): 915.73 MDL-Nummer: MFCD00013310 InChI-Schlüssel: CYPYTURSJDMMMP-UHFFFAOYSA-N Synonym: Tris-dibenzylidenaceton-dipalladium 0,Tris-dibenzylidenaceton-dipalladium,Tris-dibenzylidenaceton-dipalladium o,Tris(dibenzylideneacetonyl)bis-palladium,Tris-DBA,Tris-1e,4e-1,5-diphenylpenta-1,4-dien-3-on-dipalladium,tris dba,tris 1e,4e-1,5-diphenylpenta-1,4-dien-3-one dipalladium PubChem CID: 9811564 IUPAC-Name: (1E,4E)-1,5-Diphenylpenta-1,4-Dien-3-on;palladium SMILES: [Pd].[Pd].O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1.O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1.O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1

EDGE
InChI-Schlüssel CYPYTURSJDMMMP-UHFFFAOYSA-N
IUPAC-Name (1E,4E)-1,5-Diphenylpenta-1,4-Dien-3-on;palladium
PubChem CID 9811564
CAS 51364-51-3
MDL-Nummer MFCD00013310
Molekulargewicht (g/mol) 915.73
SMILES [Pd].[Pd].O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1.O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1.O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1
Synonym Tris-dibenzylidenaceton-dipalladium 0,Tris-dibenzylidenaceton-dipalladium,Tris-dibenzylidenaceton-dipalladium o,Tris(dibenzylideneacetonyl)bis-palladium,Tris-DBA,Tris-1e,4e-1,5-diphenylpenta-1,4-dien-3-on-dipalladium,tris dba,tris 1e,4e-1,5-diphenylpenta-1,4-dien-3-one dipalladium
Summenformel C51H42O3Pd2
2

Chrom(III)-acetylacetonat, 97%

CAS: 21679-31-2 Summenformel: C15H21CrO6 Molekulargewicht (g/mol): 349.32 MDL-Nummer: MFCD00000015 MFCD00000015 InChI-Schlüssel: JWORPXLMBPOPPU-LNTINUHCSA-K Synonym: chromium iii acetylacetonate,dsstox_cid_30421,dsstox_gsid_51863 PubChem CID: 91759531 IUPAC-Name: Chrom;(Z)-4-Oxoniumylidenepent-2-en-2-olat SMILES: [Cr+3].C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O

EDGE
InChI-Schlüssel JWORPXLMBPOPPU-LNTINUHCSA-K
IUPAC-Name Chrom;(Z)-4-Oxoniumylidenepent-2-en-2-olat
PubChem CID 91759531
CAS 21679-31-2
MDL-Nummer MFCD00000015 MFCD00000015
Molekulargewicht (g/mol) 349.32
SMILES [Cr+3].C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O
Synonym chromium iii acetylacetonate,dsstox_cid_30421,dsstox_gsid_51863
Summenformel C15H21CrO6
3

Mesityloxid, Mischung aus α- und β-Isomeren, 99 %, Thermo Scientific Chemicals

CAS: 141-79-7 Summenformel: C6H10O Molekulargewicht (g/mol): 98.14 InChI-Schlüssel: SHOJXDKTYKFBRD-UHFFFAOYSA-N Synonym: mesityl oxide,4-methyl-3-penten-2-one,3-penten-2-one, 4-methyl,isopropylideneacetone,isobutenyl methyl ketone,methyl isobutenyl ketone,mesityloxid,mesityloxyde,3-isohexen-2-one,isopropylidene acetone PubChem CID: 8858 IUPAC-Name: 4-Methylpent-3-en-2-on SMILES: CC(=CC(=O)C)C

InChI-Schlüssel SHOJXDKTYKFBRD-UHFFFAOYSA-N
IUPAC-Name 4-Methylpent-3-en-2-on
PubChem CID 8858
CAS 141-79-7
Molekulargewicht (g/mol) 98.14
SMILES CC(=CC(=O)C)C
Synonym mesityl oxide,4-methyl-3-penten-2-one,3-penten-2-one, 4-methyl,isopropylideneacetone,isobutenyl methyl ketone,methyl isobutenyl ketone,mesityloxid,mesityloxyde,3-isohexen-2-one,isopropylidene acetone
Summenformel C6H10O
4

Platin-(II)-acetylacetonat, 98 %, Thermo Scientific Chemicals

CAS: 15170-57-7 Summenformel: C10H14O4Pt Molekulargewicht (g/mol): 393.30 MDL-Nummer: MFCD00000028 InChI-Schlüssel: KLFRPGNCEJNEKU-FDGPNNRMSA-L Synonym: platinum ii acetylacetonate,pt acac 2,platinum bis acetylacetonate,acetylacetone platinum ii salt,platinum 2,4-pentanedionate,2,4-pentanedione platinum ii derivative,bis acetylacetonato platinum,bis acetylacetonato platinum ii,2,4-pentanedione, platinum ii PubChem CID: 10960186 IUPAC-Name: (Z)-4-Hydroxypent-3-en-2-on;Platin SMILES: [Pt++].C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O

InChI-Schlüssel KLFRPGNCEJNEKU-FDGPNNRMSA-L
IUPAC-Name (Z)-4-Hydroxypent-3-en-2-on;Platin
PubChem CID 10960186
CAS 15170-57-7
MDL-Nummer MFCD00000028
Molekulargewicht (g/mol) 393.30
SMILES [Pt++].C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O
Synonym platinum ii acetylacetonate,pt acac 2,platinum bis acetylacetonate,acetylacetone platinum ii salt,platinum 2,4-pentanedionate,2,4-pentanedione platinum ii derivative,bis acetylacetonato platinum,bis acetylacetonato platinum ii,2,4-pentanedione, platinum ii
Summenformel C10H14O4Pt
5

Vanadyl(IV)-acetylacetonat, 99 %, Thermo Scientific Chemicals

CAS: 3153-26-2 Summenformel: C10H14O5V Molekulargewicht (g/mol): 265.16 MDL-Nummer: MFCD00000032 InChI-Schlüssel: JFHJZWAQYMGNBE-SUKNRPLKSA-L Synonym: vanadyl acetylacetonate,bis 2,4-pentanedionato vanadium iv oxide PubChem CID: 131674261 IUPAC-Name: oxovanadiumbis(ylium) bis((2Z)-4-oxopent-2-en-2-olate) SMILES: O=[V++].C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O

InChI-Schlüssel JFHJZWAQYMGNBE-SUKNRPLKSA-L
IUPAC-Name oxovanadiumbis(ylium) bis((2Z)-4-oxopent-2-en-2-olate)
PubChem CID 131674261
CAS 3153-26-2
MDL-Nummer MFCD00000032
Molekulargewicht (g/mol) 265.16
SMILES O=[V++].C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O
Synonym vanadyl acetylacetonate,bis 2,4-pentanedionato vanadium iv oxide
Summenformel C10H14O5V
6

2-Methyl-2-pentenal, 97 %, Thermo Scientific Chemicals

CAS: 623-36-9 Summenformel: C6H10O Molekulargewicht (g/mol): 98.15 MDL-Nummer: MFCD00006978 InChI-Schlüssel: IDEYZABHVQLHAF-GQCTYLIASA-N Synonym: 2-methyl-2-pentenal,2-pentenal, 2-methyl,e-2-methyl-2-pentenal,2-methyl-3-ethylacrolein,2-methyl-2-penten-1-al,2-methyl-2-pentene-1-al,2,4-dimethylcrotonaldehyde,trans-2-methyl-2-pentenal,e-2-methylpent-2-enal,unii-98qag1u530 PubChem CID: 5319754 IUPAC-Name: (E)-2-Methylpent-2-enal SMILES: CCC=C(C)C=O

InChI-Schlüssel IDEYZABHVQLHAF-GQCTYLIASA-N
IUPAC-Name (E)-2-Methylpent-2-enal
PubChem CID 5319754
CAS 623-36-9
MDL-Nummer MFCD00006978
Molekulargewicht (g/mol) 98.15
SMILES CCC=C(C)C=O
Synonym 2-methyl-2-pentenal,2-pentenal, 2-methyl,e-2-methyl-2-pentenal,2-methyl-3-ethylacrolein,2-methyl-2-penten-1-al,2-methyl-2-pentene-1-al,2,4-dimethylcrotonaldehyde,trans-2-methyl-2-pentenal,e-2-methylpent-2-enal,unii-98qag1u530
Summenformel C6H10O
7

2-Methyl-3-butyn-2-ol, 98 %, Thermo Scientific Chemicals

CAS: 115-19-5 Summenformel: C5H8O Molekulargewicht (g/mol): 84.12 InChI-Schlüssel: CEBKHWWANWSNTI-UHFFFAOYSA-N Synonym: 2-methyl-3-butyn-2-ol,3-butyn-2-ol, 2-methyl,3-methyl-1-butyn-3-ol,3-methylbutynol,2-methyl-2-butynol,ethynyldimethylcarbinol,carbavane,dimethylethynylcarbinol,dimethylethynylmethanol,1,1-dimethyl-2-propynol PubChem CID: 8258 IUPAC-Name: 2-Methylbut-3-in-2-ol SMILES: CC(C)(C#C)O

InChI-Schlüssel CEBKHWWANWSNTI-UHFFFAOYSA-N
IUPAC-Name 2-Methylbut-3-in-2-ol
PubChem CID 8258
CAS 115-19-5
Molekulargewicht (g/mol) 84.12
SMILES CC(C)(C#C)O
Synonym 2-methyl-3-butyn-2-ol,3-butyn-2-ol, 2-methyl,3-methyl-1-butyn-3-ol,3-methylbutynol,2-methyl-2-butynol,ethynyldimethylcarbinol,carbavane,dimethylethynylcarbinol,dimethylethynylmethanol,1,1-dimethyl-2-propynol
Summenformel C5H8O
11

4-Methyl-2-pentenal, 95 %, Thermo Scientific Chemicals

CAS: 5362-56-1 Summenformel: C6H10O Molekulargewicht (g/mol): 98.14 MDL-Nummer: MFCD00800501 InChI-Schlüssel: RIWPMNBTULNXOH-ONEGZZNKSA-N Synonym: 4-methyl-2-pentenal,unii-sxg1guk91a,e-4-methyl-2-pentenal,sxg1guk91a,fema no. 3510,2-pentenal, 4-methyl,4-methylpent-2-enal,4-methyl-2-penten-1-al,2-pentenal, 4-methyl-, 2e,2e-4-methylpent-2-enal PubChem CID: 5916154 IUPAC-Name: (E)-4-Methylpent-2-enal SMILES: CC(C)C=CC=O

InChI-Schlüssel RIWPMNBTULNXOH-ONEGZZNKSA-N
IUPAC-Name (E)-4-Methylpent-2-enal
PubChem CID 5916154
CAS 5362-56-1
MDL-Nummer MFCD00800501
Molekulargewicht (g/mol) 98.14
SMILES CC(C)C=CC=O
Synonym 4-methyl-2-pentenal,unii-sxg1guk91a,e-4-methyl-2-pentenal,sxg1guk91a,fema no. 3510,2-pentenal, 4-methyl,4-methylpent-2-enal,4-methyl-2-penten-1-al,2-pentenal, 4-methyl-, 2e,2e-4-methylpent-2-enal
Summenformel C6H10O
12

3-Butyn-2-on, 96 %, Thermo Scientific Chemicals

CAS: 1423-60-5 Summenformel: C4H4O Molekulargewicht (g/mol): 68.08 MDL-Nummer: MFCD00008775 InChI-Schlüssel: XRGPFNGLRSIPSA-UHFFFAOYSA-N Synonym: 3-butyn-2-one,1-butyn-3-one,methyl ethynyl ketone,acetylacetylene,butyn-2-one,acetylethyne,1-butyne-3-one,3-butyne-2-one,ethynyl methyl ketone,ch3coc#ch PubChem CID: 15018 ChEBI: CHEBI:48060 IUPAC-Name: But-3-in-2-on SMILES: CC(=O)C#C

InChI-Schlüssel XRGPFNGLRSIPSA-UHFFFAOYSA-N
IUPAC-Name But-3-in-2-on
PubChem CID 15018
CAS 1423-60-5
ChEBI CHEBI:48060
MDL-Nummer MFCD00008775
Molekulargewicht (g/mol) 68.08
SMILES CC(=O)C#C
Synonym 3-butyn-2-one,1-butyn-3-one,methyl ethynyl ketone,acetylacetylene,butyn-2-one,acetylethyne,1-butyne-3-one,3-butyne-2-one,ethynyl methyl ketone,ch3coc#ch
Summenformel C4H4O
13

3-Methyl-3-penten-2-on, 98 %, Thermo Scientific Chemicals

CAS: 565-62-8 Summenformel: C6H10O Molekulargewicht (g/mol): 98.14 InChI-Schlüssel: ZAMCMCQRTZKGDX-SNAWJCMRSA-N Synonym: 3-methyl-3-penten-2-one,e-3-methylpent-3-en-2-one,e-3-methyl-3-penten-2-one,unii-jbr4o01db2,jbr4o01db2,3-methyl-2-penten-4-one,3-penten-2-one, 3-methyl,3-methyl-3-pentene-2-one,2-acetyl-2-butene,3-methyl-4-oxopent-2-ene PubChem CID: 5364579 IUPAC-Name: (E)-3-Methylpent-3-en-2-on SMILES: CC=C(C)C(=O)C

InChI-Schlüssel ZAMCMCQRTZKGDX-SNAWJCMRSA-N
IUPAC-Name (E)-3-Methylpent-3-en-2-on
PubChem CID 5364579
CAS 565-62-8
Molekulargewicht (g/mol) 98.14
SMILES CC=C(C)C(=O)C
Synonym 3-methyl-3-penten-2-one,e-3-methylpent-3-en-2-one,e-3-methyl-3-penten-2-one,unii-jbr4o01db2,jbr4o01db2,3-methyl-2-penten-4-one,3-penten-2-one, 3-methyl,3-methyl-3-pentene-2-one,2-acetyl-2-butene,3-methyl-4-oxopent-2-ene
Summenformel C6H10O
14

Trans-2-Methyl-2-Butenal, 98 %, Thermo Scientific Chemicals

CAS: 497-03-0 Summenformel: C5H8O Molekulargewicht (g/mol): 84.12 MDL-Nummer: MFCD00006977 InChI-Schlüssel: ACWQBUSCFPJUPN-HWKANZROSA-N Synonym: tiglic aldehyde,trans-2-methyl-2-butenal,tiglaldehyde,2-methylbut-2-enal,e-2-methylbut-2-enal,tiglic acid aldehyde,e-2-methyl-2-butenal,2-butenal, 2-methyl-, e,tigaldehyde, trans,2-butenal, 2-methyl-, 2e PubChem CID: 5321950 IUPAC-Name: (E)-2-Methylbut-2-enal SMILES: CC=C(C)C=O

InChI-Schlüssel ACWQBUSCFPJUPN-HWKANZROSA-N
IUPAC-Name (E)-2-Methylbut-2-enal
PubChem CID 5321950
CAS 497-03-0
MDL-Nummer MFCD00006977
Molekulargewicht (g/mol) 84.12
SMILES CC=C(C)C=O
Synonym tiglic aldehyde,trans-2-methyl-2-butenal,tiglaldehyde,2-methylbut-2-enal,e-2-methylbut-2-enal,tiglic acid aldehyde,e-2-methyl-2-butenal,2-butenal, 2-methyl-, e,tigaldehyde, trans,2-butenal, 2-methyl-, 2e
Summenformel C5H8O
15

β-Ionon, 96 %, synthetisch, Thermo Scientific Chemicals

CAS: 14901-07-6 Summenformel: C13H20O Molekulargewicht (g/mol): 192.30 MDL-Nummer: MFCD00001549 InChI-Schlüssel: PSQYTAPXSHCGMF-BQYQJAHWSA-N Synonym: beta-ionone,trans-beta-ionone,e-beta-ionone,4-2,6,6-trimethylcyclohex-1-en-1-yl but-3-en-2-one,.beta.-ionone,3e-4-2,6,6-trimethylcyclohex-1-en-1-yl but-3-en-2-one,4-2,6,6-trimethyl-1-cyclohexenyl-3-buten-2-one,unii-a7nrr1hlh6,e-4-2,6,6-trimethylcyclohex-1-en-1-yl but-3-en-2-one,beta-e-ionone PubChem CID: 638014 ChEBI: CHEBI:32325 IUPAC-Name: (E)-4-(2,6,6-Trimethylcyclohexen-1-yl)but-3-en-2-on SMILES: CC(=O)\C=C\C1=C(C)CCCC1(C)C

InChI-Schlüssel PSQYTAPXSHCGMF-BQYQJAHWSA-N
IUPAC-Name (E)-4-(2,6,6-Trimethylcyclohexen-1-yl)but-3-en-2-on
PubChem CID 638014
CAS 14901-07-6
ChEBI CHEBI:32325
MDL-Nummer MFCD00001549
Molekulargewicht (g/mol) 192.30
SMILES CC(=O)\C=C\C1=C(C)CCCC1(C)C
Synonym beta-ionone,trans-beta-ionone,e-beta-ionone,4-2,6,6-trimethylcyclohex-1-en-1-yl but-3-en-2-one,.beta.-ionone,3e-4-2,6,6-trimethylcyclohex-1-en-1-yl but-3-en-2-one,4-2,6,6-trimethyl-1-cyclohexenyl-3-buten-2-one,unii-a7nrr1hlh6,e-4-2,6,6-trimethylcyclohex-1-en-1-yl but-3-en-2-one,beta-e-ionone
Summenformel C13H20O