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3-Benzylphthalide is a naturally occurring chemical compound belonging to the phthalide class, found in plants such as celery and parsley. It is characterized by its distinct smell and is recognized for its potential health benefits, including antioxidant, anti-inflammatory properties, and positive impacts on cardiovascular health. Additionally, it has been studied for its potential anti-cancer effects, making it a versatile compound with applications across various industries.

7011-98-5

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7011-98-5 Usage

Uses

Used in Fragrance and Flavor Industry:
3-Benzylphthalide is used as a fragrance and flavoring agent due to its distinct smell, adding unique scents and tastes to various products in this industry.
Used in Pharmaceutical Industry:
3-Benzylphthalide is used as a potential therapeutic agent for its antioxidant and anti-inflammatory properties, which may contribute to the treatment or management of various health conditions.
Used in Cardiovascular Health Applications:
3-Benzylphthalide is used as a cardiovascular health promoter due to its potential positive impact on heart health, possibly reducing the risk of cardiovascular diseases.
Used in Anticancer Research:
3-Benzylphthalide is used as a subject of research in oncology for its potential anti-cancer effects, with the aim of developing new cancer treatment strategies or enhancing existing ones.

Check Digit Verification of cas no

The CAS Registry Mumber 7011-98-5 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 7,0,1 and 1 respectively; the second part has 2 digits, 9 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 7011-98:
(6*7)+(5*0)+(4*1)+(3*1)+(2*9)+(1*8)=75
75 % 10 = 5
So 7011-98-5 is a valid CAS Registry Number.

7011-98-5SDS

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 3-benzyl-3H-2-benzofuran-1-one

1.2 Other means of identification

Product number -
Other names 3-Benzyl-phthalid

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:7011-98-5 SDS

7011-98-5Relevant academic research and scientific papers

Manganese- and Borane-Mediated Synthesis of Isobenzofuranones from Aromatic Esters and Oxiranes via C-H Bond Activation

Sueki, Shunsuke,Wang, Zijia,Kuninobu, Yoichiro

, p. 304 - 307 (2016)

A manganese- and borane-mediated synthesis of isobenzofuranones from esters and oxiranes is developed. The reaction proceeded at aromatic, heteroaromatic, and olefinic C-H bonds with high functional group tolerance. This is the first example of a manganese-catalyzed C-H transformation using an oxygen-directing group. Triphenylborane played an important role in this reaction to cooperatively promote the annulation reaction. Kinetic isotope effect experiments revealed that C-H bond activation of the aromatic rings was the rate-determining step.

Synthesis of 1,2-phenylenedimethanols by base-promoted reduction of isobenzofuran-1(3H)-ones with silane

Liu, Bin,Zhou, Xigeng

supporting information, p. 725 - 728 (2018/12/11)

An efficient method for preparation of substituted 1,2-phenylenedimethanols and aliphatic 1,4-diols that are valuable intermediates in organic synthesis, has been developed by the base-promoted reduction of isobenzofuran-1(3H)-ones and γ-lactones with silane under mild conditions. Compared with traditional procedures using stoichiometric amounts of metal hydrides and alkyl reductants, the present method avoids the use of sensitive reagents and is operationally simple and a broad variety of functional groups are tolerated.

Titanocene(III) chloride mediated radical induced synthesis of isobenzofuranones via allylation of aldehydes followed by in situ lactonization

Mukherjee, Shirshendu,Roy, Subhas Chandra

, p. 85 - 90 (2019/05/21)

Titanocene(III) chloride mediated radical induced synthesis of isobenzofuranones has been accomplished via allylation of aldehydes followed by in situ lactonization in good yield. The radical initiator titanocene(III) chloride (Cp2TiCl) has been prepared from commercially available Cp2TiCl2 and Zn dust in THF under argon.

Mechanistic analysis of a copper-catalyzed C-H oxidative cyclization of carboxylic acids

Banerjee, Shibdas,Sathyamoorthi, Shyam,Du Bois,Zare, Richard N.

, p. 7003 - 7008 (2017/10/05)

We recently reported that carboxylic acids can be oxidized to lactone products by potassium persulfate and catalytic copper acetate. Here, we unravel the mechanism for this C-H functionalization reaction using desorption electrospray ionization, online electrospray ionization, and tandem mass spectrometry. Our findings suggest that electron transfer from a transient benzylic radical intermediate reduces Cu(ii) to Cu(i), which is then re-oxidized to Cu(ii) in the catalytic cycle. The resulting benzylic carbocation is trapped by the pendant carboxylate group to give the lactone product. Formation of the putative benzylic carbocation is supported by Hammett analysis. The proposed mechanism for this copper-catalyzed oxidative cyclization process differs from earlier reports of analogous reactions, which posit a substrate carboxylate radical as the reactive oxidant.

Domino [Pd]-Catalysis: One-Pot Synthesis of Isobenzofuran-1(3H)-ones

Mahendar, Lodi,Satyanarayana, Gedu

, p. 7685 - 7691 (2016/09/09)

An efficient domino [Pd]-catalysis for the synthesis of isobenzofuran-1(3H)-ones is presented. The strategy shows broad substrate scope and is amenable to o-bromobenzyl tertiary/secondary/primary alcohols. Significantly, the method was applied to the synthesis of antiplatelet drug n-butyl phthalide and cytotoxic agonist 3a-[4′-methoxylbenzyl]-5,7-dimethoxyphthalide.

Formation of 2-arylindane-1,3-diones and 3-alkylphthalides from methyl o-[α-phenylsulfonyl]toluate

Thirumamagal,Narayanasamy, Sureshbabu

, p. 512 - 515 (2008/04/13)

2-Aryl-1,3-indanedione and phthalide derivatives have attracted considerable interest due to their anticoagulant, parasiticidal and a range of biological activities. The synthesis of 2-aryl-1,3-indanedione by the condensation of the title sulfone with aryl aldehydes through an interesting pathway and a previously unreported approach to 3-alkylphthalide from C-alkylated derivatives of 1 under microwave and conventional heating conditions are described.

Highly efficient cyclization of o-iodobenzoates with aldehydes catalyzed by cobalt bidentate phosphine complexes: A novel entry to chiral phthalides

Chang, Hong-Tai,Jeganmohan, Masilamani,Cheng, Chien-Hong

, p. 4356 - 4363 (2008/02/05)

Methyl 2-iodobenzoates 1a-c undergo cyclization reactions with various aromatic aldehydes 2a-m (RC6CHO: R = H 2a, 4-CH3, 2b, 4tBu 2c, 4-OMe 2d, 3-OMe 2e, 4-C1 2f, 4-CF3 2g, 4-CN 2h, 4-Ph 2i; benzo [d][1,3]dioxole-5-carbaldehyde (2j), 1napthaldehyde (2k), benzofuran-2- carbaldehyde (21), and isonicotinaldehyde (2m)) in the presence of [CoI2(dppe)] (dppe = l,2-bis(diphenylphosphino)ethane) and Zn powder in dry THF at 75 °C for 24 h to give the corresponding phthalide derivatives 3a-m and 3q-t in good to excellent yields. Under similar reaction conditions, less reactive aliphatic aldehydes, heptanal (2n), butyraldehyde (2o), and 2-phenylacetaldehyde (2p) also underwent cyclization reactions with la to provide 3n-p, respectively, in fair to good yields. The catalytic reaction can be further extended to cinnamyl aldehyde (2q) with la to give the corresponding phthalide derivative 3u. This synthetic method is compatible with a variety of functional groups on the aryl ring of 2. The high efficiency of the cobalt catalyst containing a dppe (dppe = l,2-bis(diphenylphosphino)ethane) ligand encouraged us to investigate the asymmetric version of the present catalytic reaction by employing bidentate chiral ligands. Thus, aromatic aldehydes 2a-c, 2f, and 2 g undergo cyclization with 2-iodobenzoate (la) smoothly in the presence of [CoI2{(S,S)- dipamp}] ((S,S)-dipamp = (1S,2S)-(+)-bis[2-methoxyphenyl]phenylphosphino)ethane) and zinc powder in THF at 75 °C for 24 h, giving the corresponding (S)-phthalides 4a-e in 8189 % yields with 70-98 % ee. A possible mechanism for the present catalytic reaction is proposed.

Direct lactone formation by using hypervalent iodine(III) reagents with KBr via selective C-H abstraction protocol

Dohi, Toshifumi,Takenaga, Naoko,Goto, Akihiro,Maruyama, Akinobu,Kita, Yasuyuki

, p. 3129 - 3132 (2008/02/09)

We have developed a new and reliable method for the direct construction of biologically important aryl lactones and phthalides from carboxylic and benzoic acids, using a combination of hypervalent iodine(III) reagents with KBr.

A new entry for the preparation of substituted aromatic carbonyl compounds mediated by Samarium(II) iodide

Yoda, Hidemi,Kohata, Naoki,Takabe, Kunihiko

, p. 1087 - 1094 (2007/10/03)

A new route to substituted aromatic lactones and lactams via SMI2-promoted desulfurization is described. Direct replacement of the phenylthio substituent by hydroxyalkylated groups featuring the novel accessible process for the construction of continuous quaternary carbon centers could be accomplished when the same type of reactions was undertaken with carbonyl compounds in the presence of SmI2.

Thionation of ω-hydroxy amides with Lawesson's reagent: Synthesis of thioenamides and sulfur-containing heterocycles

Nishio, Takehiko,Sekiguchi, Hiroshi

, p. 5017 - 5026 (2007/10/03)

The thionation of ω-hydroxy amides with Lawesson's reagent [LR: 2,4- bis(p-methoxyphenyl)-1,3,2,4-dithiaphosphetane-2,4-disulfide] is described. The treatment of 3-hydroxy amides 1 with LR exclusively gave thioenamides 2 in fair yields. The treatment of 4-hydroxy amides 5 with LR yielded sulfur- containing heterocycles such as tetrahydrothiophene-2-imines 6 and tetrahydrothiophene-2-thione 7a through cyclization of intermediates, 4- mercapto amides 8. The 5-hydroxy amides 13 also reacted with LR to afford tetrahydrothiopyrane-2-thione 14 as the the sole product.

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