5243-91-4

Basic information

• Product Name: 1-ethyl-17-(2-nitrophenyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (non-preferred name)
• CAS NO: 5243-91-4
• Molecular Formula: C₁₁H₁₃NS
• Molecular Weight: 424.448
• Mol File: 5243-91-4.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 660.4°C at 760 mmHg
• Flash Point: 353.2°C
• Density: 1.372g/cm³
• Vapor Pressure: 2.59E-17mmHg at 25°C
• Refractive Index: 1.681
• CAS DataBase Reference: 1-ethyl-17-(2-nitrophenyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (non-preferred name)(CAS DataBase Reference)
• NIST Chemistry Reference: 1-ethyl-17-(2-nitrophenyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (non-preferred name)(5243-91-4)
• EPA Substance Registry System: 1-ethyl-17-(2-nitrophenyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (non-preferred name)(5243-91-4)

Safety Data

• Hazardous Substances Data: 5243-91-4(Hazardous Substances Data)

Usage

Explanation

This is the given name of the complex organic compound, which may not be widely recognized or used in scientific literature due to it being a non-preferred name.

Explanation

The compound contains a nitrophenyl group, which is a phenyl ring (a six-membered carbon ring with alternating single and double bonds) attached to a nitro group (-NO2).

Explanation

The compound has a pentacyclic structure, meaning it consists of five interconnected rings within a 17-membered azapentacyclo[6.6.5.0~2,7~.0~9,14~0~15,19~]nonadeca core.

Explanation

The compound contains a 16,18-dione functional group, which consists of two carbonyl groups (C=O) located at the 16th and 18th positions of the molecule. This functional group can influence the compound's reactivity and polarity.

Explanation

Due to its complex structure and various functional groups, the compound is likely to exhibit unique chemical properties that may be of interest for further research and investigation.

Nitrophenyl group

2-nitrophenyl

Pentacyclic structure

17-azapentacyclo[6.6.5.0~2,7~.0~9,14~0~15,19~]nonadeca

1-ethyl substituent

C2H5

16,18-dione functional group

C=O

Unique chemical properties

Potential for further research and investigation

Relevant articles and documents

Reaction of (1,ω)-N-Acylamino Alcohols with Lawesson's Reagent: Synthesis of Sulfur-Containing Heterocycles

Lawesson's reagent [LR: 2,4-bis(p-methoxyphenyl)-1,3,2,4-dithiaphosphetane 2,4-disulfide] is shown to be a valuable reagent for the ready access of sulfur-containing heterocycles: thiazolines 2 starting from the (1,2)-N-acylamino alcohols 1 and benzothiazines 14 from [2-(N-acylamino)phenyl]alkanols 12. Treatment of (1,2)-N-acylamino secondary alcohols 1a-p with LR gave the thiazolines 2a-p via direct conversion of the alcohols to the respective thiols, and the subsequent thionation of the amide carbonyl, followed by cyclization with the elimination of hydrogen sulfide. However, reaction of (1,2)-N-acylamino tertiary alcohols 1q-u with LR yielded the dehydration products 5-7 and 9. Treatment of [2-(N-acylamino)phenyl]alkanols 12a-f with a molar equivalent of LR yielded the 3,1-benzothiazines 14a-f. In this reaction, the [2-(N-acylamino)phenyl]alkanethiols 13a-e were isolated when the corresponding alcohols 12a-e were treated with 0.5 equiv of LR. Further thionation of 13c with LR also gave 3,1-benzothiazine 14c.