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Naphthalen-1,4-imine-9-carboxylic acid, 1,4-dihydro-, 1,1-dimethylethyl ester is a complex organic compound with the chemical formula C13H15NO2. It is a derivative of naphthalene, a polycyclic aromatic hydrocarbon, and features a 1,4-imine group, which is a nitrogen-containing functional group. The compound is characterized by its 1,4-dihydro structure, indicating that it has two hydrogen atoms added across a double bond, and a 1,1-dimethylethyl (also known as tert-butyl) ester group, which is a bulky, sterically hindered ester. This ester group is attached to the carboxylic acid functionality, making the compound an ester derivative. The compound is of interest in organic chemistry and may have potential applications in the synthesis of various pharmaceuticals and other chemical products due to its unique structure and reactivity.

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  • Naphthalen-1,4-imine-9-carboxylic acid, 1,4-dihydro-, 1,1-dimethylethyl ester

    Cas No: 5176-28-3

  • USD $ 1.9-2.9 / Gram

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  • 5176-28-3 Structure
  • Basic information

    1. Product Name: Naphthalen-1,4-iMine-9-carboxylic acid, 1,4-dihydro-, 1,1-diMethylethyl ester
    2. Synonyms: Naphthalen-1,4-iMine-9-carboxylic acid, 1,4-dihydro-, 1,1-diMethylethyl ester;tert-Butyl 11-azatricyclo[6.2.1.0^{2,7}]-undeca- 2,4,6,9-tetraene-11-carboxylate;Naphthalen-1,4-iMine-9-carboxylic acid, 1,4-dihydro-, 1,1-diMethylethyl ester-3;7-tert-Butoxycarbonyl-2,3-benzo-7-azabicyclo[2.2.1]hepta-2,5-diene
    3. CAS NO:5176-28-3
    4. Molecular Formula: C15H17NO2
    5. Molecular Weight: 243.30098
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 5176-28-3.mol
  • Chemical Properties

    1. Melting Point: 67-70 °C
    2. Boiling Point: 342.1±42.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.177±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. PKA: -1.88±0.20(Predicted)
    10. CAS DataBase Reference: Naphthalen-1,4-iMine-9-carboxylic acid, 1,4-dihydro-, 1,1-diMethylethyl ester(CAS DataBase Reference)
    11. NIST Chemistry Reference: Naphthalen-1,4-iMine-9-carboxylic acid, 1,4-dihydro-, 1,1-diMethylethyl ester(5176-28-3)
    12. EPA Substance Registry System: Naphthalen-1,4-iMine-9-carboxylic acid, 1,4-dihydro-, 1,1-diMethylethyl ester(5176-28-3)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 5176-28-3(Hazardous Substances Data)

5176-28-3 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 5176-28-3 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,1,7 and 6 respectively; the second part has 2 digits, 2 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 5176-28:
(6*5)+(5*1)+(4*7)+(3*6)+(2*2)+(1*8)=93
93 % 10 = 3
So 5176-28-3 is a valid CAS Registry Number.

5176-28-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name SureCN13137750

1.2 Other means of identification

Product number -
Other names tert-butyl 11-azatricyclo[6.2.1.0?,?]undeca-2,4,6,9-tetraene-11-carboxylate

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:5176-28-3 SDS

5176-28-3Relevant articles and documents

Phosphine-alkene ligand-mediated alkyl-alkyl and alkyl-halide elimination processes from palladium(ii)

Tuxworth, Luke,Baiget, Lise,Fox, Mark A.,Dyer, Philip W.,Phanopoulos, Andreas,Metters, Owen J.,Batsanov, Andrei S.,Howard, Judith A. K.

, p. 10413 - 10415,3 (2012)

N-Diphenylphosphino-7-aza-benzobicyclo[2.2.1]hept-2-ene (2) behaves as a chelating phosphine-alkene ligand for Pd0 and PdII, promoting direct alkyl-alkyl and indirect alkyl-halide reductive elimination reactions due to the stabilisation of the resulting bis(phosphine-alkene)Pd 0 complex.

Copper-catalyzed anti-stereocontrolled ring-opening of azabicyclic alkenes with Grignard reagents

Gómez Arrayás, Ramón,Cabrera, Silvia,Carretero, Juan C.

, p. 219 - 221 (2005)

(Chemical Equation Presented) The anti-stereocontrolled alkylative ring-opening reaction of azabicyclic alkenes is reported. N-(2-Pyridyl)sulfonyl azabenzonorbornadiene reacts with Grignard reagents in the presence of catalytic amounts of CuCN to afford,

Directing-Group-Controlled Ring-Opening Addition and Hydroarylation of Oxa/azabenzonorbornadienes with Arenes via C-H Activation

Chen, Jingchao,Fan, Baomin,Gao, Yang,Khan, Ruhima,Li, Kangkui,Tian, Youxian,Zhang, Keyang,Zhang, Xuexin,Zhou, Yongyun

, (2020)

An efficient method for the directing group controlled rhodium-catalyzed addition reaction of oxa/azabicylic alkenes with aromatic ketones and benzoic acids has been developed. The ketones and benzoic acids afforded different addition products when reacte

Efficient access to enantiopure 1,3-disubstituted isoindolines from selective catalytic fragmentation of an original desymmetrized rigid overbred template

Pandey, Ganesh,Varkhedkar, Rajesh,Tiwari, Divya

, p. 4438 - 4448 (2015)

An efficient and scalable synthesis of various enantiopure 1,3- disubstituted isoindolines is reported. The base catalyzed nucleophilic fragmentation of a rigid overbred template is established with various substrates to afford the corresponding 1,3-disub

Indium-Mediated Intramolecular Reaction of N-(2-Iodobenzoyl)azabenzonorbornadienes: A General Access to Dihydrobenzo[c]phenanthridinones

Liu, Yang,Lei, Kang,Liu, Na,Sun, Dong-Wei,Hua, Xue-Wen,Li, Ya-Juan,Xu, Xiao-Hua

, p. 5495 - 5503 (2016)

An efficient synthesis of dihydrobenzo[c]phenanthridinones was achieved by utilizing an indium(0)-mediated intramolecular cyclization reaction under ligand- and base-free conditions. A variety of functional groups were tolerated in the present protocol.

COMPOUNDS AND COMPOSITIONS FOR TREATING CNS DISORDERS

-

Paragraph 0253-0254, (2021/07/10)

The present disclosure provides compounds and pharmaceutical compositions thereof. Methods of making and using the compounds are also provided. The compounds can be used for the treatment, prevention, diagnosis and/or management of various CNS disorders.

One-Pot Generation of Functionalized Benzynes from Readily Available 2-Hydroxyphenylboronic Acids

Ikawa, Takashi,Sun, Jingkai,Takagi, Akira,Akai, Shuji

, p. 3383 - 3392 (2020/03/10)

We developed a one-pot method for the generation of benzynes from a range of readily available 2-hydroxyphenylboronic acids. This method features the in situ activation of both boronic acid and hydroxyl groups of the substrate to enhance benzyne generation at 60 °C. Such mild conditions facilitate the generation of functionalized benzynes that immediately react with diverse arynophiles to produce multisubstituted fused benzenes.

Arynes and Their Precursors from Arylboronic Acids via Catalytic C-H Silylation

Devaraj, Karthik,Ingner, Fredric J.L.,Sollert, Carina,Gates, Paul J.,Orthaber, Andreas,Pilarski, Lukasz T.

, p. 5863 - 5871 (2019/04/16)

A new, operationally simple approach is presented to access arynes and their fluoride-activated precursors based on Ru-catalyzed C-H silylation of arylboronates. Chromatographic purification may be deferred until after aryne capture, rendering the arylboronates de facto precursors. Access to various new arynes and their derivatives is demonstrated, including, for the first time, those based on a 2,3-carbazolyne and 2,3-fluorenyne core, which pave the way for novel derivatizations of motifs relevant to materials chemistry.

A kind of benzo 7 bit azabicyclo rhodamine dye (by machine translation)

-

Paragraph 0004; 0005; 0021, (2018/12/14)

The invention discloses a benzo 7 bit azabicyclo rhodamine dye, its structural general formula is: Wherein X=O, Si, Se, R2 =CO2 - , SO3 - . The dye has excellent optical properties, for example has high light stability, high molar extinction coefficient, relatively high quantum yield or the like. In the fluorescent probe, fluorescent labeling, the photodynamic therapy, such as the catch system and laser dyes in the field of biotechnology application, and has a wide application. (by machine translation)

RESORCINOL DERIVATIVE AS HSP90 INHIBITOR

-

, (2017/12/27)

The present invention relates to a compound represented by formula (I) of a resorcinol derivative as an HSP90 inhibitor or pharmaceutically accepted salts thereof. The compound in the present invention has the activity of inhibiting heat shock protein HSP90. Therefore, the compound in the present invention is used to treat proliferative diseases such as cancer and neurodegenerative diseases. The present invention further provides the compounds and preparation methods for pharmaceutical compositions comprising the compounds, a method for treating diseases, and pharmaceutical compositions comprising the compounds.

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