1,4,7,10,13-Benzopentaoxacyclopentadecin,2,3,5,6,8,9,11,12-octahydro-15-nitro-

CAS

60835-69-0

Catalog Number

ACM60835690

Category

Other Products

Molecular Weight

313.31

Molecular Formula

C₁₄H₁₉NO₇

MSDS COA Spec Sheet

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Specification

Synonyms

4-Nitrobenzo-15-crown-5, 341878_ALDRICH, (4-Nitrobenzo)-15-crown-5, NSC175879, ZINC03895786, ST023700, SR-01000389982-2, 17-Nitro-2,3-benzo-1,4,7,10,13-pentaoxacyclopentadecen-2, 60835-69-0

IUPAC Name

18-nitro-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene

Canonical SMILES

C1COCCOC2=C(C=C(C=C2)[N+](=O)[O-])OCCOCCO1

InChI Key

XIWRBQVYCZCEPG-UHFFFAOYSA-N

Melting Point

95 - 98ºC

Flash Point

199ºC

Density

1.191g/cm³

Appearance

white to yellow crystals

Exact Mass

313.11600

Hazard Statements

H-Bond Acceptor

H-Bond Donor

Safety Description

S26-S36

WGK Germany

Downstream Synthesis Route 1

60835-69-0

60835-71-4

Reference: [1]Yang, Jye-Shane; Hwang, Chung-Yu; Chen, Mon-Yao
[Tetrahedron Letters, 2007, vol. 48, # 17, p. 3097 - 3102]

Downstream Synthesis Route 2

60835-69-0

100460-06-8

Reference: [1]Toeke, Laszlo; Bitter, Istvan; Agai, Bela; Hell, Zoltan; Lindner, Ernoe; et. al.
[Liebigs Annalen der Chemie, 1988, p. 761 - 764]
[2]Agai, Bela; Bitter, Istvan; Hell, Zoltan; Szoelloesy, Aron; Toeke, Laszlo
[Tetrahedron Letters, 1985, vol. 26, # 22, p. 2705 - 2708]

Downstream Synthesis Route 3

60835-69-0

73491-38-0
73491-37-9

Reference: [1]Shinkai, Seiji; Nakaji, Takahiro; Ogawa, Toshiyuki; Shigematsu, Kazuyoshi; Manabe, Osamu
[Journal of the American Chemical Society, 1981, vol. 103, # 1, p. 111 - 115]

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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