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2-Aminoanthracene is an organic compound with the chemical formula C14H11N. It is a derivative of anthracene, which is a tricyclic aromatic hydrocarbon consisting of three fused benzene rings. The presence of an amino group (-NH2) attached to the anthracene core gives 2-Aminoanthracene unique chemical properties and reactivity.

613-13-8

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613-13-8 Usage

Uses

Used in Pharmaceutical Industry:
2-Aminoanthracene is used as a reactant for the synthesis of steroid-derived naphthoquinoline asphaltene compounds. These compounds are prepared through a multicomponent cyclocondensation reaction with 5-α-cholestan-3-one and aromatic aldehydes. The resulting naphthoquinoline derivatives have potential applications in the development of new pharmaceutical agents.
Used in Chemical Research:
2-Aminoanthracene is also used as a reactant in the preparation of naphtho[2,3-f]quinoline derivatives. These derivatives are synthesized by reacting 2-Aminoanthracene with aromatic aldehyde and acetone or acetophenone, catalyzed by iodine. The synthesized naphtho[2,3-f]quinoline compounds have potential applications in various fields, including materials science and medicinal chemistry, due to their unique structural and electronic properties.

Air & Water Reactions

Insoluble in water.

Reactivity Profile

2-AMINOANTHRACENE may be unstable with prolonged exposure to air and light. Solutions of 2-AMINOANTHRACENE should be stable for 24 hours under normal lab conditions.

Health Hazard

ACUTE/CHRONIC HAZARDS: When heated to decomposition 2-AMINOANTHRACENE emits toxic fumes.

Fire Hazard

Flash point data for 2-AMINOANTHRACENE are not available; however, 2-AMINOANTHRACENE is probably combustible.

Safety Profile

Moderately toxic by intraperitoneal route. Suspected carcinogen with experimental carcinogenic and tumorigenic data. An experimental teratogen. Mutation data reported. See also AMINES. When heated to decomposition it emits toxic fumes of NOx.

Check Digit Verification of cas no

The CAS Registry Mumber 613-13-8 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 6,1 and 3 respectively; the second part has 2 digits, 1 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 613-13:
(5*6)+(4*1)+(3*3)+(2*1)+(1*3)=48
48 % 10 = 8
So 613-13-8 is a valid CAS Registry Number.
InChI:InChI=1/C14H11N/c15-14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9H,15H2

613-13-8 Well-known Company Product Price

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  • Alfa Aesar

  • (L14269)  2-Aminoanthracene, 94%   

  • 613-13-8

  • 1g

  • 295.0CNY

  • Detail
  • Alfa Aesar

  • (L14269)  2-Aminoanthracene, 94%   

  • 613-13-8

  • 5g

  • 1175.0CNY

  • Detail

613-13-8SDS

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 anthracen-2-amine

1.2 Other means of identification

Product number -
Other names 2-Aminoanthracene

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:613-13-8 SDS

613-13-8Relevant academic research and scientific papers

Triggered emission for rapid detection of hydrogen sulfide chaperoned by large Stokes shift

Biswas, Bidisha,Venkateswarulu,Gaur, Pankaj,Sharma, Yamini,Sinha, Sougata,Ghosh, Subrata

, p. 264 - 270 (2019)

Current manuscript demonstrates the development of a reaction-based “turn-on” green emissive molecular probe (P4) for rapid detection of H2S in physiological condition. The probe was found to exhibit low limit of detection (1.19 μM), along with high selectivity, large Stokes shift and good quantum efficiency. The change in the optical behaviour of the probe was also theoretically scrutinized employing density functional theory calculations which stand in the strong agreement with the photophysical outcomes. Given the demand for large Stokes dyes for sensing applications mainly because of their special photophysical properties, and as the reported number is very limited, the present probe with 110 nm Stokes shift is a good addition in the area of large Stokes dyes for H2S recognition in physiological conditions.

A supramolecular approach of modified polyoxometalate polymerization and visualization of a single polymer chain

Guan, Weiming,Wang, Gengxin,Ding, Jingbo,Li, Bao,Wu, Lixin

, p. 10788 - 10791 (2019)

An anthracene modified Anderson-Evans polyoxometalate was polymerized via supramolecular inclusion and then covalent coupling with the support of γ-cyclodextrin (γ-CD) under UV light irradiation. The formed main chain polymers of the inorganic polyanions self-assembled into fibrous bundles and single-strand chains were visualized and characterized via TEM and other techniques.

Selective Carbon-Carbon Bond Amination with Redox-Active Aminating Reagents: A Direct Approach to Anilines?

Qiu, Xu,Wang, Yachong,Su, Lingyu,Jin, Rui,Song, Song,Qin, Qixue,Li, Junhua,Zong, Baoning,Jiao, Ning

supporting information, p. 3011 - 3016 (2021/09/13)

Amines are among the most fundamental motifs in chemical synthesis, and the introduction of amine building blocks via selective C—C bond cleavage allows the construction of nitrogen compounds from simple hydrocarbons through direct skeleton modification. Herein, we report a novel method for the preparation of anilines from alkylarenes via Schmidt-type rearrangement using redox-active amination reagents, which are easily prepared from hydroxylamine. Primary amines and secondary amines were prepared from corresponding alkylarenes or benzyl alcohols under mild conditions. Good compatibility and valuable applications of the transformation were also displayed.

Inducing apoptosis through upregulation of p53: structure–activity exploration of anthraquinone analogs

Agbowuro, Ayodeji A.,Anifowose, Abiodun,Lu, Wen,Tan, Chalet,Tripathi, Ravi,Wang, Binghe,Yang, Xiaoxiao

, p. 1199 - 1210 (2020/06/17)

We previously reported a series of p53-elevating anthraquinone compounds with considerable cytotoxicity for acute lymphoblastic leukemia (ALL) cells. To further develop this class of compounds, we examined the effect of a few key structural features on the anticancer structure–activity relationship (SAR) in ALL cells. The active analogs showed comparable cytotoxicity and upregulation of p53 but did not induce significant downregulation of MDM2 as seen with the lead compound AQ-101, indicating the importance of the anthraquinone core scaffold for MDM2 regulation. The result from the current study not only contributes to the SAR framework of these anthraquinone derivatives but also opens up new chemical space for further optimization work.

Synthesis, Structure and Properties of Fused π-Extended Acridone Derivatives

Gao, Hongshuai,Zhang, Gang

supporting information, (2020/08/26)

Benzene- and naphthalene-fused acridone derivatives with hexyl and phenyl groups at the amino position were synthesized and their properties were investigated experimentally and computationally. All the structures of these fused π-extended acridone derivatives were unambiguously confirmed by single-crystal X-ray analysis, which revealed the presence of face-to-face π–π stackings along the acridone moiety and the intermolecular hydrogen bond-directed molecular packings of the phenyl-substituted acridone derivatives in the crystals. Moreover, the dimerization of linearly fused acridone derivative was observed after storing the crystals over months. The benzene ring at the turning point of the angularly fused acridone derivatives contained relatively longer and shorter C–C bonds, which affected the molecular conjugation, as confirmed by the results of photophysical characterization and the study of the aromaticity. Mobility calculations based on the molecular packings in the single crystals showed that the linearly fused acridone derivatives bearing better electron and hole mobilities are good candidates of organic functional materials.

Photoactivated Healable Vitrimeric Copolymers

Wright, Taylor,Tomkovic, Tanja,Hatzikiriakos, Savvas G.,Wolf, Michael O.

, p. 36 - 42 (2019/01/04)

A composite polymer based on vinylogous urethane vitrimer bonding with both photodimerizable and thermally exchangeable functionalities is described. Polymers containing various ratios of photodimerizable diaminoanthracene monomers and thermally exchangeable diaminoalkyl monomers linked by a common bisacetoacetate group are studied. It is demonstrated that alkyl amines undergo the necessary thermal exchange reactions for vinylogous urethane vitrimers, while aromatic amines do not. UV-induced dimerization of the anthracene units results in changes to the rheological properties and the glass transition temperature due to polymer cross-linking. Rapid and near-complete scratch healing upon heating is demonstrated, with a tunable onset temperature for healing controlled by UV irradiation. The viability of a composite vitrimeric system, wherein vitrimeric monomers are combined with non-vitrimeric, stimuli-responsive monomers to generate random copolymers with new properties, is demonstrated.

Synthesis of Anthradan analogues by regioselective Friedel-Crafts reactions on N,N-dihexylanthracen-2-amine

De Miranda, Maicon G.,De Oliveira, Matheus F.G.,Lopes, Rosangela S.C.,Da Silva, Antonio J.R.,Albert, André L.M.,Lopes, Claudio C.

supporting information, p. 2587 - 2590 (2013/06/26)

An efficient synthetic route using a Friedel-Crafts acylation approach was developed to obtain fluorophores such as 1-(6-(dihexylamino)anthracen-1-yl) propan-1-one (1b) and 1-(7-(dihexylamino)anthracen-1-yl)propan-1-one (1c) with a push-pull electronic conjugation starting from 2-aminoanthracene-9,10-dione (4). These compounds are analogues of 1-(6-(dihexylamino)anthracen-2-yl)propan- 1-one (Anthradan) and they exhibit the same additional redshift emission and absorption spectra. Furthermore, we have synthesized other derivatives of Anthradan via the Friedel-Crafts approach in good yields.

Kinetics of hydrogen bonding between anthracene urea derivatives and anions in the excited state

Ikedu, Satomi,Nishimura, Yoshinobu,Arai, Tatsuo

experimental part, p. 8227 - 8233 (2011/09/20)

Urea compounds are useful anion sensors due to their hydrogen-bonding capabilities. We investigated the emissive properties of complexes consisting of urea-anthracene (nPUA, n = 1, 2) host compounds and acetate anions held as guests through intermolecular hydrogen bonding. The kinetics of a new emission band formed by conformational changes in the excited singlet state were revealed. The new band is thought to arise from a charge-transfer interaction between the anthracene and urea moieties after intermolecular hydrogen-bond reconfiguration in the excited state, with rate constants of 2.4 × 10 9 and 4.0 × 107 s-1 for 1PUA and 2PUA, respectively.

Direct synthesis of amino-substituted aromatic phosphonates via palladium-catalyzed coupling of aromatic mono-and dibromides with diethyl phosphite

Bessmertnykh, Alla,Douaihy, Christiane Morkos,Guilard, Roger

supporting information; experimental part, p. 738 - 739 (2011/04/21)

An efficient Pd-catalyzed carbon-phosphorus bond-forming route is described for the direct synthesis of diethyl arylphosphonates bearing amino and alkylamino groups on the aromatic ring. Copyright

Preparation and cyclization of some N-(2,2-Dimethylpropargyl) homo- And heteroaromatic amines and the synthesis of some pyrido[2,3-d]pyrimidines

Holman, Michelle A.,Williamson, Natalie M.,Ward, A. David

, p. 368 - 374 (2007/10/03)

The Cu(I) catalyzed cyclization of o-substituted N-(2,2-dimethylpropargyl) anilines yields 8-substituted 2,2-dimethyl-1,2-dihydroquinolines, while m-substituted analogues provide a mixture of 5- and 7-substituted dihydroquinoline systems. This reaction can be extended to 2-amino-N-(2,2- dimethylpropargyl)anthracene, yielding a dihydronaphtho[2,3-f]quinoline product, and to aminoquinoline derivatives, which yield substituted phenanthroline products. Pyridine analogues did not cyclize, apparently because of complexation with the copper reagent. An alternative synthetic approach to these cyclized products, when complexation may be a problem, is illustrated by the following example. 2-Chloro-4-N-(2,2-dimethylpropargyl)pyrimidine was reduced using a Lindlar catalyst to the corresponding alkene which did not undergo an amino-Claisen rearrangement. However, the 5-bromopyrimidine alkene analogue underwent addition with phenylselanyl bromide to give a product that cyclized, using butyllithium, to a pyrido[2,3-d]pyrimidine selenium-containing product from which the selenium moiety could be removed to yield either a dihydro- or a tetrahydro-pyrido[2,3-d]pyrimidine system. A Heck reaction on the 5-bromopyrimidine alkene gave a 5-methylene-6,7-dihydro-5H-pyrrolo[2,3-d] pyrimidine. CSIRO 2005.

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