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(1S)-3β,4β-Diphenyl-1α,2α-cyclobutanedicarboxylic acid is a unique chemical compound characterized by its two cyclobutane rings and two carboxylic acid groups. It is a stereoisomer with a specific configuration of the cyclobutane rings and the attached phenyl groups, which contributes to its distinct properties and potential reactivity.

528-34-7

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528-34-7 Usage

Uses

Used in Medicinal Chemistry:
(1S)-3β,4β-Diphenyl-1α,2α-cyclobutanedicarboxylic acid is used as a building block or intermediate in the synthesis of pharmaceutical compounds. Its unique structure allows for the development of new drugs with potential therapeutic applications.
Used in Material Chemistry:
(1S)-3β,4β-Diphenyl-1α,2α-cyclobutanedicarboxylic acid is used as a component in the development of new materials with specific properties. Its reactivity and structural features can contribute to the creation of advanced materials for various industries.
It is important for researchers and chemists to study the properties and behavior of (1S)-3β,4β-Diphenyl-1α,2α-cyclobutanedicarboxylic acid in order to understand its full potential and explore its applications in different fields.

Check Digit Verification of cas no

The CAS Registry Mumber 528-34-7 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 5,2 and 8 respectively; the second part has 2 digits, 3 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 528-34:
(5*5)+(4*2)+(3*8)+(2*3)+(1*4)=67
67 % 10 = 7
So 528-34-7 is a valid CAS Registry Number.
InChI:InChI=1/C18H16O4/c19-17(20)15-13(11-7-3-1-4-8-11)14(16(15)18(21)22)12-9-5-2-6-10-12/h1-10,13-16H,(H,19,20)(H,21,22)

528-34-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name .β.-Truxinic acid

1.2 Other means of identification

Product number -
Other names -

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:528-34-7 SDS

528-34-7Relevant academic research and scientific papers

Scalable preparation and property investigation of a cis-cyclobutane-1,2-dicarboxylic acid from β-trans-cinnamic acid

Amjaour, Houssein,Wang, Zhihan,Mabin, Micah,Puttkammer, Jenna,Busch, Sullivan,Chu, Qianli R.

, p. 214 - 217 (2019)

Scalable synthesis of β-truxinic acid (CBDA-4) was accomplished by capturing and photodimerizing a metastable crystalline solid of trans-cinnamic acid. This synthetic approach builds a foundation for investigating the properties and applications of the us

Template-Directed Photochemical Homodimerization and Heterodimerization Reactions of Cinnamic Acids

Türkmen, Yunus Emre,Yagci, Bilge Banu,Zorlu, Yunus

, p. 13118 - 13128 (2021/09/18)

We developed a general method for the selective photochemical homo- and heterodimerization of cinnamic acid derivatives with the use of commercially available 1,8-dihydroxynaphthalene as a covalent template. A variety of symmetrical and unsymmetrical β-tr

Photocatalytic Oxidative [2+2] Cycloelimination Reactions with Flavinium Salts: Mechanistic Study and Influence of the Catalyst Structure

Hartman, Tomá?,Reisnerová, Martina,Chudoba, Josef,Svobodová, Eva,Archipowa, Nataliya,Kutta, Roger Jan,Cibulka, Radek

, p. 373 - 386 (2021/02/01)

Flavinium salts are frequently used in organocatalysis but their application in photoredox catalysis has not been systematically investigated to date. We synthesized a series of 5-ethyl-1,3-dimethylalloxazinium salts with different substituents in the positions 7 and 8 and investigated their application in light-dependent oxidative cycloelimination of cyclobutanes. Detailed mechanistic investigations with a coumarin dimer as a model substrate reveal that the reaction preferentially occurs via the triplet-born radical pair after electron transfer from the substrate to the triplet state of an alloxazinium salt. The very photostable 7,8-dimethoxy derivative is a superior catalyst with a sufficiently high oxidation power (E=2.26 V) allowing the conversion of various cyclobutanes (with Eox up to 2.05 V) in high yields. Even compounds such as all-trans dimethyl 3,4-bis(4-methoxyphenyl)cyclobutane-1,2-dicarboxylate can be converted, whose opening requires a high activation energy due to a missing pre-activation caused by bulky adjacent substituents in cis-position.

Donor-acceptor fluorophores as efficient energy transfer photocatalysts for [2 + 2] photodimerization

Chen, Feng,Chen, Hao,Liu, Xue-Fen,Luo, Shu-Ping,Ren, Chen-Chao,Wu, Qing-An,Xu, Liang-Xuan,Yu, Xiao-Cong

supporting information, p. 3707 - 3716 (2020/06/03)

Mild [2 + 2] photodimerization of enone substrates was induced by donor-acceptor fluorophores. Enone substrates were activated efficiently for anti-head to head dimerizations with a high yield (up to 83%) and high selectivity. The adjustable excited state potential also allows donor-acceptor fluorophores to be used for isomerization of the above substrates, confirming the potential of donor-acceptor fluorophores as energy transfer photocatalysts.

Using non-covalent interactions to direct regioselective 2+2 photocycloaddition within a macrocyclic cavitand

Nguyen, Nga,Clements, Aspen Rae,Pattabiraman, Mahesh

, p. 2433 - 2443 (2016/03/19)

The relative orientation of guests within ternary inclusion complexes is governed by the host-guest and guest-guest supramolecular interactions. Selectivity in 2+2 photocycloaddition between two alkenes included within a macrocyclic cavitand (γ-cyclodextrin) can be controlled using non-covalent interactions. In this manuscript, we report cavitand-mediated control of regioselectivity between alkyl cinnamates using non-covalent interactions. Using this method, we have shown that regioselectivity can be switched completely from a head-to-head dimer to a head-to-tail dimer. The reactions were also stereoselective in most cases. Stoichiometry experiments were performed to explore relative stabilities of the complexes, which indicate that the ternary complex is more stable than others. Selectivity in the photocycloaddition reaction was also applied retrospectively to deduce intermolecular orientations. Time-dependent conversion study we performed indicates that the observed reactivity of alkenes is representative of the intermolecular orientations in the bulk of the complex medium. Experimental observations and computational studies were used to qualitatively understand the complex structures, and relative magnitudes of the weak interactions. The reactions of complexes were studied in slurry form, and the extent of reaction control suggests a solid-state-like behavior.

γ-Cyclodextrin mediated photo-heterodimerization between cinnamic acids and coumarins

Clements, Aspen Rae,Pattabiraman, Mahesh

, p. 1 - 7 (2015/02/19)

The ability of γ-cyclodextrin to form ternary inclusion complexes has been utilized to mediate photo-heterodimerization between cinnamic acids and coumarins in the solid-state. Stabilizing steric and electronic interactions between the alkenes in the incl

Stereocontrolled photodimerization with congested 1,8-Bis(4′-anilino) naphthalene templates

Ghosn, Marwan W.,Wolf, Christia'

experimental part, p. 6653 - 6659 (2010/11/05)

Suzuki cross-coupling of a 1,8-dihalonaphthalene with 4-methoxy-3- methylphenylboronic acid or 4-acetamidophenylboronic acid and subsequent functional group transformation gave 1,8-bis(3′-methyl-4′-anilino) naphthalene, 16, and 1,8-bis(4′-anilino)naphthalene, 21, in 65% and 90% overall yield, respectively. These congested compounds exhibit two cofacial aniline rings that favor a proximate, parallel arrangement of covalently attached cinnamoyl units suitable for stereoselective photodimerization. The [2 + 2]cycloaddition was found to proceed with high yield and exclusive formation of cis,trans,cis-cyclobutane-1,2-dicarboxylic acids. Amide formation with cinnamoyl chloride and template 21 followed by photochemical dimerization and acidic hydrolysis gave β-truxinic acid, 10, in 69% overall yield. Coupling of 21 and (E)-3-(3,4-dimethylphenyl)acrylic acid in the presence of EDC, UV irradiation, and cleavage gave cis,trans,cis-3,4-bis(3,4-dimethylphenyl) cyclobutane-1,2-dicarboxylic acid, 26, in 60% yield. In both cases, the template was quantitatively recovered.

Temperature stability and photodimerization kinetics of β-cinnamic acid and comparison to its α-polymorph as studied by solid-state NMR spectroscopy techniques and DFT calculations

Fonseca,Hayes,Bluemich,Bertmer

, p. 5898 - 5907 (2008/12/23)

Photoreactions of the α- and β-polymorphs of trans-cinnamic acid were studied by 13C CPMAS solid-state nuclear magnetic resonance spectroscopy, and the reactants and products were spectroscopically characterized in detail. Chemical shifts and c

The interaction of Cinnamic acids with 60Co gamma radiation

Njus, Jeffrey M.,Sae-Lim, Chantana,Sandman, Daniel J.

, p. 55 - 61 (2008/02/04)

In the interest of expanding our knowledge of the interaction of cinnamic acid and its derivatives with ionizing radiation, (E)-cinnamic acid and several of its chlorinated and brominated derivatives were exposed to 60Co gamma radiation. Dimer yields were estimated from integration of the proton NMR signals of the irradiated material. (E)-Cinnamic acid itself is relatively unreactive. The largest yield of dimer was obtained with p-bromocinnamic acid where exposure to a dose of 116 megarads led to a 24% yield.

Templating photodimerization of trans-cinnamic acids with cucurbit[8]uril and γ-cyclodextrin

Pattabiraman, Mahesh,Natarajan, Arunkumar,Kaanumalle, Lakshmi S.,Ramamurthy

, p. 529 - 532 (2007/10/03)

(Chemical Equation Presented) Cucurbit[8]uril and γ-cyclodextrin are able to align two olefin molecules in a head-head fashion within their large cavities. Excitation of such templated olefins results in syn head-head cyclobutanes in nearly quantitative yields. The methodology revealed here works with trans-cinnamic acids that do not dimerize either in solution or in the solid state and with the ones that yield only anti head-tail dimer in the solid state.

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