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3-(2-Propenyl)indole, also known as β-Carbolines, is a naturally occurring indole alkaloid compound found in plants such as Peganum harmala (Syrian Rue) and the Ayahuasca vine. It is recognized for its psychoactive and hallucinogenic properties, which have been utilized in traditional medicine and shamanic practices for their mind-altering effects. β-Carbolines have garnered interest for their potential therapeutic applications in treating neurological disorders, as well as for their possible anti-cancer and anti-inflammatory properties.

16886-09-2

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16886-09-2 Usage

Uses

Used in Pharmaceutical Industry:
3-(2-Propenyl)indole is used as a therapeutic agent for treating neurological disorders such as depression and anxiety. Its psychoactive properties have been studied for their potential to alleviate symptoms associated with these conditions, offering a novel approach to treatment.
Used in Traditional Medicine:
In traditional medicine, 3-(2-Propenyl)indole is used for its mind-altering effects in shamanic rituals and healing practices. Its historical use provides a foundation for exploring its potential benefits in modern therapeutic contexts.
Used in Cancer Research:
3-(2-Propenyl)indole is used as a subject of research in cancer studies for its potential anti-cancer properties. The exploration of its effects on various types of cancer cells could lead to the development of new cancer treatments.
Used in Inflammation Research:
As an anti-inflammatory agent, 3-(2-Propenyl)indole is used in research to understand its impact on inflammatory processes. This could potentially contribute to the development of treatments for inflammatory diseases.

Check Digit Verification of cas no

The CAS Registry Mumber 16886-09-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,6,8,8 and 6 respectively; the second part has 2 digits, 0 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 16886-09:
(7*1)+(6*6)+(5*8)+(4*8)+(3*6)+(2*0)+(1*9)=142
142 % 10 = 2
So 16886-09-2 is a valid CAS Registry Number.
InChI:InChI=1/C11H11N/c1-2-5-9-8-12-11-7-4-3-6-10(9)11/h2-4,6-8,12H,1,5H2

16886-09-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-prop-2-enyl-1H-indole

1.2 Other means of identification

Product number -
Other names UWJLKFQVYFDQEQ-UHFFFAOYSA

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:16886-09-2 SDS

16886-09-2Relevant academic research and scientific papers

1,4-pentadienyl-3-sulfonamides: frameworks for disfavored radical cascade cyclizations.

Bommezijn,Martin,Kennedy,Lizos,Murphy

, p. 3405 - 3407 (2001)

[reaction: see text]. 1,4-pentadienyl-3-sulfonamides afford products including those resulting from disfavored 5-endo-trig reactions when subjected to radical cyclization conditions. Products resulting from pathways featuring 4-exo-trig cyclizations are also detected, even when the 4-exo-trig reaction leads to a highly strained bicyclo[3.2.0] ring system.

An efficient two-step synthesis of 3-allylindoles

Kulkarni, Mukund G.,Davawala, Saryu I.,Dhondge, Attrimuni P.,Gaikwad, Dnyaneshwar D.,Borhade, Ajit S.,Chavhan, Sanjay W.

, p. 1003 - 1005 (2006)

A two-step synthetic sequence for an efficient synthesis of 3-allylindoles is described.

Sodium Perborate: A Facile Catalyst for Allylation of Active Centers

Jayaprakash, Soora Harinath,Krishna, Balam Satheesh,Prasad, Sthanikam Siva,Sudha, Sarva Santhi,Reddy, Cirandur Suresh

, p. 355 - 362 (2015)

An efficient and ecofriendly allylation of O-H, N-H, and C-H groups has been achieved successfully with the reaction of allyl bromide by using sodium perborate as a new catalyst in aqueous media. The advantage of this method is operationally simple, short reaction time, good yield, and simple workup conditions over the previously reported conventional methods such as amination, oxyalkylation reactions of allyl bromide, and Friedel-Crafts allylation chemistry.

Pd-catalyzed C3-selective allylation of indoles with allyl alcohols promoted by triethylborane

Kimura, Masanari,Futamata, Makoto,Mukai, Ryutaro,Tamaru, Yoshinao

, p. 4592 - 4593 (2005)

Under palladium catalysis, Et3B nicely promotes allyl alcohols to undergo C3-selective allylation of indoles and tryptophan; the yields range 75-95%. Copyright

Zinc-mediated Barbier reactions of pyrrole and indoles: A new method for the alkylation of pyrrole and indoles

Yadav,Reddy,Reddy, P.Muralikrishna,Srinivas

, p. 5185 - 5187 (2002)

Pyrrole and indoles react smoothly with alkyl halides such as allyl bromide, prenyl bromide, crotyl bromide and propargyl bromide in the presence of zinc metal in THF to afford the corresponding 3- and 2-alkyl pyrrole and 3-alkyl indole derivatives in good yields with high regioselectivity.

Rapid Assembly of Functionalised Spirocyclic Indolines by Palladium-Catalysed Dearomatising Diallylation of Indoles with Allyl Acetate

Dhankher, Persis,Benhamou, Laure,Sheppard, Tom D.

, p. 13375 - 13381 (2014)

Herein, we report the application of allyl acetate to the palladium-catalysed dearomatising diallylation of indoles. The reaction can be carried out by using a readily available palladium catalyst at room temperature, and can be applied to a wide range of substituted indoles to provide access to the corresponding 3,3-diallylindolinines. These compounds are versatile synthetic intermediates that readily undergo Ugi reactions or proline-catalysed asymmetric Mannich reactions. Alternatively, acylation of the 3,3-diallylindolinines with an acid chloride or a chloroformate, followed by treatment with aluminium chloride, enables 2,3-diallylindoles to be prepared. By using ring-closing metathesis, functionalised spirocyclic indoline scaffolds can be accessed from the Ugi products, and a dihydrocarbazole can be prepared from the corresponding 2,3-diallylindole.

Synthesis of allyl cyanamides and N-cyanoindoles via the palladium-catalyzed three-component coupling reaction

Kamijo, Shin,Yamamoto, Yoshinori

, p. 11940 - 11945 (2002)

The palladium-catalyzed three-component coupling reaction (TCCR) of aryl isocyanides, allyl methyl carbonate, and trimethylsilyl azide was conducted in the presence of Pd2(dba)3·CHCl3 (2.5 mol %) and dppe (1,2-bis(diphenyl

A Combined Tamaru Allylation/Olefin Cross-Metathesis Approach for the Total Syntheses of (±)-Paniculidine B, (±)-Paniculidine C, and 2-Methylcarbazole

Tseng, Yi-Lun,Liang, Min-Chieh,Chen, I-Chia,Wu, Yen-Ku

, p. 609 - 612 (2018)

A concise approach to the total syntheses of racemic paniculidines B and C is described. The route features a combined Tamaru allylation/olefin cross-metathesis sequence for the regiocontrolled synthesis of prenylindole intermediates. In addition, we report a transformation of the prenylated indole into 2-methylcarbazole catalyzed by sulfonic acid-functionalized silica gel.

Alkene synthesis by photocatalytic chemoenzymatically compatible dehydrodecarboxylation of carboxylic acids and biomass

Nguyen, Vu T.,Nguyen, Viet D.,Haug, Graham C.,Dang, Hang T.,Jin, Shengfei,Li, Zhiliang,Flores-Hansen, Carsten,Benavides, Brenda S.,Arman, Hadi D.,Larionov, Oleg V.

, p. 9485 - 9498 (2019/10/11)

Direct conversion of renewable biomass and bioderived chemicals to valuable synthetic intermediates for organic synthesis and materials science applications by means of mild and chemoselective catalytic methods has largely remained elusive. Development of artificial catalytic systems that are compatible with enzymatic reactions provides a synergistic solution to this enduring challenge by leveraging previously unachievable reactivity and selectivity modes. We report herein a dual catalytic dehydrodecarboxylation reaction that is enabled by a crossover of the photoinduced acridine-catalyzed O-H hydrogen atom transfer (HAT) and cobaloxime-catalyzed C-H-HAT processes. The reaction produces a variety of alkenes from readily available carboxylic acids. The reaction can be embedded in a scalable triple-catalytic cooperative chemoenzymatic lipase-acridine-cobaloxime process that allows for direct conversion of plant oils and biomass to long-chain terminal alkenes, precursors to bioderived polymers.

Diastereoselective Allylation of Aldehydes by Dual Photoredox and Chromium Catalysis

Schwarz, J. Luca,Sch?fers, Felix,Tlahuext-Aca, Adrian,Lückemeier, Lukas,Glorius, Frank

supporting information, p. 12705 - 12709 (2018/10/09)

Herein, we report the redox-neutral allylation of aldehydes with readily available electron-rich allyl (hetero-) arenes, β-alkyl styrenes and allyl-diarylamines. This process was enabled by the combination of photoredox and chromium catalysis, which allowed a range of homoallylic alcohols to be prepared with high levels of selectivity for the anti diastereomer. Mechanistic investigations support the formation of an allyl chromium intermediate from allylic C(sp3)-H bonds and thus significantly extends the scope of the venerable Nozaki-Hiyama-Kishi reaction.

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