4'-Acetylbenzo-15-crown 5-Ether
4'-Acetylbenzo-15-crown 5-Ether structure
|
Common Name | 4'-Acetylbenzo-15-crown 5-Ether | ||
|---|---|---|---|---|
| CAS Number | 41757-95-3 | Molecular Weight | 310.34200 | |
| Density | 1.097g/cm3 | Boiling Point | 481.1ºC at 760mmHg | |
| Molecular Formula | C16H22O6 | Melting Point | 95-97ºC | |
| MSDS | N/A | Flash Point | 213.3ºC | |
| Name | 4'-Acetylbenzo-15-crown 5-Ether |
|---|---|
| Synonym | More Synonyms |
| Density | 1.097g/cm3 |
|---|---|
| Boiling Point | 481.1ºC at 760mmHg |
| Melting Point | 95-97ºC |
| Molecular Formula | C16H22O6 |
| Molecular Weight | 310.34200 |
| Flash Point | 213.3ºC |
| Exact Mass | 310.14200 |
| PSA | 63.22000 |
| LogP | 1.71020 |
| Index of Refraction | 1.474 |
| InChIKey | XNJYHEGDUAQGEE-UHFFFAOYSA-N |
| SMILES | CC(=O)c1ccc2c(c1)OCCOCCOCCOCCO2 |
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
|
| RTECS | KM5782540 |
|---|
|
~82%
4'-Acetylbenzo-... CAS#:41757-95-3 |
| Literature: Paramonov, Sergey V.; Lokshin, Vladimir; Smolentsev, Artem B.; Glebov, Evgeni M.; Korolev, Valeri V.; Basok, Stepan S.; Lysenko, Konstantin A.; Delbaere, Stephanie; Fedorova, Olga A. Tetrahedron, 2012 , vol. 68, # 38 p. 7873 - 7883 |
|
~80%
4'-Acetylbenzo-... CAS#:41757-95-3 |
| Literature: Talma, Auke G.; Vossen, Huib van; Sudhoelter, Ernst J. R.; Eerden, Johan van; Reinhoudt, David N. Synthesis, 1986 , # 8 p. 680 - 683 |
|
~44%
4'-Acetylbenzo-... CAS#:41757-95-3 |
| Literature: Sakata, Kazunori; Shimoda, Manabu; Hashimoto, Mamoru Journal of Heterocyclic Chemistry, 1996 , vol. 33, # 6 p. 1593 - 1598 |
|
~%
4'-Acetylbenzo-... CAS#:41757-95-3 |
| Literature: Zhao, Liyan; Xia, Wujiong; Gou, Baoquan; Lu, Yu; Yang, Chao; Li, Dazhi Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 2012 , vol. 95, p. 199 - 203 |
|
~48%
4'-Acetylbenzo-... CAS#:41757-95-3 |
| Literature: Cseri, Tivadar; Bekassy, Sandor; Bodas, Zoltan; Agai, Bela; Figueras, Francois Tetrahedron Letters, 1996 , vol. 37, # 9 p. 1473 - 1476 |
|
~%
4'-Acetylbenzo-... CAS#:41757-95-3 |
| Literature: Talma, Auke G.; Vossen, Huib van; Sudhoelter, Ernst J. R.; Eerden, Johan van; Reinhoudt, David N. Synthesis, 1986 , # 8 p. 680 - 683 |
|
~%
4'-Acetylbenzo-... CAS#:41757-95-3 |
| Literature: Talma, Auke G.; Vossen, Huib van; Sudhoelter, Ernst J. R.; Eerden, Johan van; Reinhoudt, David N. Synthesis, 1986 , # 8 p. 680 - 683 |
|
~%
4'-Acetylbenzo-... CAS#:41757-95-3 |
| Literature: Zhao, Liyan; Xia, Wujiong; Gou, Baoquan; Lu, Yu; Yang, Chao; Li, Dazhi Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 2012 , vol. 95, p. 199 - 203 |
|
~%
4'-Acetylbenzo-... CAS#:41757-95-3 |
| Literature: Cseri, Tivadar; Bekassy, Sandor; Bodas, Zoltan; Agai, Bela; Figueras, Francois Tetrahedron Letters, 1996 , vol. 37, # 9 p. 1473 - 1476 |
| Precursor 9 | |
|---|---|
| DownStream 3 | |
CAS#:56683-56-8
CAS#:56683-55-7
CAS#:39557-70-5|
Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
|
|
Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
|
|
Name: qHTS Assay for Inhibitors of the Phosphatase Activity of Eya2
Source: NCGC
Target: eyes absent homolog 2 isoform a [Homo sapiens]
External Id: EYA2477
|
|
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
|
|
Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
|
|
Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1100
|
|
Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1101
|
|
Name: Schnurri-3 Inhibitors: specific inducers of adult bone formation Measured in Cell-Bas...
Source: Broad Institute
Target: N/A
External Id: 2134-01_Inhibitor_SinglePoint_HTS_Activity_Set2
|
|
Name: Primary cell-based high-throughput screening for identification of compounds that all...
Source: Johns Hopkins Ion Channel Center
Target: MAS-related GPR member X1 [Homo sapiens]
External Id: JHICC_MrgX1_AlloAgonist_Primary
|
|
Name: Primary cell-based high-throughput screening for identification of compounds that ant...
Source: Johns Hopkins Ion Channel Center
Target: MAS-related GPR member X1 [Homo sapiens]
External Id: JHICC_MrgX1_Antagonist_Primary
|
| 1-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)ethanone |
| 2,3-(4-Acetylbenzo)-1,4,7,10,13-pentaoxacyclopentadec-2-ene |