4'-Acetylbenzo-15-crown 5-Ether

Modify Date: 2025-08-25 15:15:17

4'-Acetylbenzo-15-crown 5-Ether Structure
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

 Names

Name 4'-Acetylbenzo-15-crown 5-Ether
Synonym More Synonyms

 Chemical & Physical Properties

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

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
KM5782540
CHEMICAL NAME :
Ethanone, 1-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopenta oxacyclopentadecin-15 -yl)-
CAS REGISTRY NUMBER :
41757-95-3
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C16-H22-O6
MOLECULAR WEIGHT :
310.38

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
270 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 23,164,1989

 Safety Information

RTECS KM5782540

 Synthetic Route

benzo-15-crown-5 structure

benzo-15-crown-5

CAS#:14098-44-3

acetic acid structure

acetic acid

CAS#:64-19-7

~82%

4'-Acetylbenzo-15-crown 5-Ether Structure

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
benzo-15-crown-5 structure

benzo-15-crown-5

CAS#:14098-44-3

Ethanoic anhydride structure

Ethanoic anhydride

CAS#:108-24-7

~80%

4'-Acetylbenzo-15-crown 5-Ether Structure

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
Ethane,1,1'-oxybis[2-(2-chloroethoxy)- structure

Ethane,1,1'-oxy...

CAS#:638-56-2

1-(3,4-Dihydroxyphenyl)ethanone structure

1-(3,4-Dihydrox...

CAS#:1197-09-7

~44%

4'-Acetylbenzo-15-crown 5-Ether Structure

4'-Acetylbenzo-...

CAS#:41757-95-3

Literature: Sakata, Kazunori; Shimoda, Manabu; Hashimoto, Mamoru Journal of Heterocyclic Chemistry, 1996 , vol. 33, # 6 p. 1593 - 1598
Ethane,1,1'-oxybis[2-(2-chloroethoxy)- structure

Ethane,1,1'-oxy...

CAS#:638-56-2

~%

4'-Acetylbenzo-15-crown 5-Ether Structure

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
benzo-15-crown-5 structure

benzo-15-crown-5

CAS#:14098-44-3

Acetyl chloride structure

Acetyl chloride

CAS#:75-36-5

~48%

4'-Acetylbenzo-15-crown 5-Ether Structure

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
1,2-Benzenediol structure

1,2-Benzenediol

CAS#:120-80-9

~%

4'-Acetylbenzo-15-crown 5-Ether Structure

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
Ms-PEG4-Ms structure

Ms-PEG4-Ms

CAS#:55400-73-2

~%

4'-Acetylbenzo-15-crown 5-Ether Structure

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
2,2'-((Oxybis(ethane-2,1-diyl))bis(oxy))diethanol structure

2,2'-((Oxybis(e...

CAS#:112-60-7

~%

4'-Acetylbenzo-15-crown 5-Ether Structure

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
Ethane,1,1'-oxybis[2-(2-chloroethoxy)- structure

Ethane,1,1'-oxy...

CAS#:638-56-2

Ethanoic anhydride structure

Ethanoic anhydride

CAS#:108-24-7

1,2-Benzenediol structure

1,2-Benzenediol

CAS#:120-80-9

~%

4'-Acetylbenzo-15-crown 5-Ether Structure

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

 Synonyms

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
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