4'-Acetylbenzo-18-crown 6-Ether

Modify Date: 2025-09-03 13:06:25

4'-Acetylbenzo-18-crown 6-Ether Structure
4'-Acetylbenzo-18-crown 6-Ether structure
Common Name 4'-Acetylbenzo-18-crown 6-Ether
CAS Number 41855-35-0 Molecular Weight 354.395
Density 1.1±0.1 g/cm3 Boiling Point 527.7±50.0 °C at 760 mmHg
Molecular Formula C18H26O7 Melting Point 77-78ºC
MSDS N/A Flash Point 231.6±30.2 °C

 Names

Name 4'-Acetylbenzo-18-crown 6-Ether
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.1±0.1 g/cm3
Boiling Point 527.7±50.0 °C at 760 mmHg
Melting Point 77-78ºC
Molecular Formula C18H26O7
Molecular Weight 354.395
Flash Point 231.6±30.2 °C
Exact Mass 354.167847
PSA 72.45000
LogP 0.38
Vapour Pressure 0.0±1.4 mmHg at 25°C
Index of Refraction 1.465
InChIKey GOVDFSVHYMATAJ-UHFFFAOYSA-N
SMILES CC(=O)c1ccc2c(c1)OCCOCCOCCOCCOCCO2

 Synthetic Route

~88%

4'-Acetylbenzo-18-crown 6-Ether Structure

4'-Acetylbenzo-...

CAS#:41855-35-0

Literature: Shkinev, A. V.; Asrarov, M. I.; Gagel'gans, A. I.; Saifullina, N. Zh.; Mukhamedzhanova, E. A.; Tashmukhamedova, A. K. Chemistry of Natural Compounds, 1983 , vol. 19, # 5 p. 597 - 600 Khimiya Prirodnykh Soedinenii, 1983 , # 5 p. 634 - 637

~75%

4'-Acetylbenzo-18-crown 6-Ether Structure

4'-Acetylbenzo-...

CAS#:41855-35-0

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-18-crown 6-Ether Structure

4'-Acetylbenzo-...

CAS#:41855-35-0

Literature: Arias; Echegoyen; Wilson; Lu Journal of the American Chemical Society, 1995 , vol. 117, # 4 p. 1422 - 1427

~85%

4'-Acetylbenzo-18-crown 6-Ether Structure

4'-Acetylbenzo-...

CAS#:41855-35-0

Literature: Sharghi, Hashem; Jokar, Mahboubeh; Doroodmand, Mohammad Mahdi; Khalifeh, Reza Advanced Synthesis and Catalysis, 2010 , vol. 352, # 17 p. 3031 - 3044

~%

4'-Acetylbenzo-18-crown 6-Ether Structure

4'-Acetylbenzo-...

CAS#:41855-35-0

Literature: Alonso, Maria Teresa; Brunet, Ernesto; Hernandez, Concepcion; Rodriguez-Ubis, Juan Carlos Tetrahedron Letters, 1993 , vol. 34, # 46 p. 7465 - 7468

~48%

4'-Acetylbenzo-18-crown 6-Ether Structure

4'-Acetylbenzo-...

CAS#:41855-35-0

Literature: Fenton, David E.; Parkin, Donald; Newton, Roger F. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1981 , p. 449 - 454

~%

4'-Acetylbenzo-18-crown 6-Ether Structure

4'-Acetylbenzo-...

CAS#:41855-35-0

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-18-crown 6-Ether Structure

4'-Acetylbenzo-...

CAS#:41855-35-0

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-18-crown 6-Ether Structure

4'-Acetylbenzo-...

CAS#:41855-35-0

Literature: Fenton, David E.; Parkin, Donald; Newton, Roger F. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1981 , p. 449 - 454

 4'-Acetylbenzo-18-crown 6-EtherBioassay

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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: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
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: High throughput fluorescence intensity-based biochemical assay to screen for small mo...
Source: University of Pittsburgh Molecular Library Screening Center
Target: furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id: MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
Name: qHTS of TDP-43 Inhibitors: NCGC Sytravon Library Screen
Source: NCGC
External Id: tdp43-p2-repeat
Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
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 Synonyms

1-(2,3,5,6,8,9,11,12,14,15-Decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin-18-yl)ethanone
1-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)ethanone
2,3-(4-Acetylbenzo)-1,4,7,10,13,16-hexaoxacyclooctadec-2-ene
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