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2-Methyl-3-(1,3-benzodioxole-5-yl)propenoic acid methyl ester is a chemical compound with the molecular formula C12H11O4. It is an organic ester derived from 2-methyl-3-(1,3-benzodioxole-5-yl)propenoic acid, where the carboxylic acid group is esterified with methanol. 2-Methyl-3-(1,3-benzodioxole-5-yl)propenoic acid methyl ester is characterized by a 1,3-benzodioxole ring, which is a fused ring system consisting of a benzene ring and a dioxole ring. The molecule also features a methyl group attached to the 2-position of the propenoic acid backbone and a methyl ester group at the 3-position. This chemical is known for its potential applications in the synthesis of various pharmaceuticals and agrochemicals, particularly those involving the benzodioxole moiety, which can contribute to the compound's biological activity.

7605-45-0

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7605-45-0 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 7605-45-0 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 7,6,0 and 5 respectively; the second part has 2 digits, 4 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 7605-45:
(6*7)+(5*6)+(4*0)+(3*5)+(2*4)+(1*5)=100
100 % 10 = 0
So 7605-45-0 is a valid CAS Registry Number.

7605-45-0SDS

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 methyl (E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-2-enoate

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:7605-45-0 SDS

7605-45-0Relevant academic research and scientific papers

Microwave-assisted synthesis of the (E)-α-methylalkenoate framework from multifunctionalized allylic phosphonium salts

Meier, Lidiane,Ferreira, Misael,Sa, Marcus M.

experimental part, p. 179 - 186 (2012/07/14)

A convenient and general microwave-assisted method for the synthesis of stereochemically defined α-methylalkenoic acids and esters from allylic phosphonium salts in a basic aqueous medium is described. A selective preparation of acids or esters was dependent on the base (NaOH or NaHCO 3) employed in the reaction and could be achieved with good to excellent yields under mild conditions in the absence of hydrides and reducing agents.

Stereoselective synthesis of trisubstituted alkenes containing (Z)-allylthio units from the acetates of Baylis-Hillman adducts

Liu, Yunkui,Xu, Danqian,Xu, Zhenyuan,Zhang, Yongmin

, p. 188 - 198 (2008/09/18)

A series of trisubstituted alkenes containing (Z)-allylthio moieties as key structural units, that is, sodium (Z)-allyl thiosulfates, symmetrical di(Z-allyl) sulfides, and di(Z-allyl) disulfides, unsymmetrical diallyl sulfides were prepared in moderate to

Samarium metal promoted facile C-acetylation of Baylis-Hillman adducts in the presence of iron(III) chloride and iodine

Li, Shaoyu,Li, Jian,Jia, Xueshun

, p. 1115 - 1117 (2008/03/11)

A novel and efficient strategy for the C-acetylation of Baylis-Hillman adducts has been described. Promoted by Sm(0)/Ac2O/FeCl 3/I2, the present method allows for the efficient conversion of Morita-Baylis-Hillman adducts t

Sm/HOAc/EtOH system-mediated reduction of Baylis-Hillman acetates

Liu, Yunkui,Mao, Dajie,Xu, Danqian,Xu, Zhenyuan,Zhang, Yongmin

, p. 4389 - 4397 (2008/03/14)

Selective formation of (2E)-2-methylalk-2-enoates or 2-methyl alkanoates could be achieved in moderate to good yields under mild conditions via Sm/HOAc/EtOH system-mediated reduction of Baylis-Hillman acetates depending on the amount of samarium consumed in the reactions. Copyright Taylor & Francis Group, LLC.

Synthetic applications of Baylis-Hillman chemistry: An efficient and solely stereoselective synthesis of (E)-α-methylcinnamic acids and potent hypolipidemic agent LK-903 from unmodified Baylis-Hillman adducts

Das, Biswanath,Banerjee, Joydeep,Chowdhury, Nikhil,Majhi, Anjoy

, p. 1725 - 1727 (2007/10/03)

An efficient and solely stereoselective synthesis of (E)-α- methylcinnamic acids has been accomplished in single pot by reduction of the unmodified Baylis-Hillman adducts, methyl-3-hydroxy-3-aryl-2- methylenepropanoates with I2/NaBH4 reagent system at room temperature followed by hydrolysis. The efficacy of this method has been proved in the total synthesis of 1-[p-(myristyloxy)-α-methylcinnamoyl]glycerol, LK-903, a highly active hypolipidemic agent.

Sm/I2-mediated selective cleavage of the S-S or C-S bonds of sodium (Z)-allyl thiosulfates in aqueous media: Selective formation of di(Z-allyl) bisulfides or (2E)-methyl cinnamic esters

Liu, Yunkui,Zheng, Hui,Xu, Danqian,Xu, Zhenyuan,Zhang, Yongmin

, p. 2492 - 2494 (2008/02/11)

Selective cleavage of the S-S or C-S bonds in sodium (Z)-allyl thiosulfates in the presence of a Sm/I2-system was achieved to form the corresponding di(Z-allyl) disulfides or (2E)-methyl cinnamic esters in moderate to good yields in aqueous med

Metallic samarium and iodine promoted facile and efficient syntheses of trisubstituted alkenes from the acetates of Baylis-Hillman adducts

Li, Jian,Xu, Hua,Zhang, Yongmin

, p. 1931 - 1934 (2007/10/03)

Promoted by samarium metal in the presence of a catalytic amount of iodine, the Baylis-Hillman adducts underwent reductive elimination to form (E)-methylcinnamic ester derivatives. When the iodine was used in 1:1 ratio with metallic samarium, stereospecific syntheses of allylic iodide derivatives, (2Z)-2-(iodomethyl)alk-2-enoates, were achieved. Thus, this gives a new approach to the selective construction of stereo-defined trisubstituted alkenes with the simple Sm/I2 system.

Simple access to 2-methylalk-2-enoates and insect pheromones by zinc-promoted reduction of Baylis-Hillman-derived allylic bromides

Fernandes, Luciano,Bortoluzzi, Adailton J.,Sá, Marcus M.

, p. 9983 - 9989 (2007/10/03)

(E)-2-Methylacrylates are prepared in good yield and high stereoselectivity by zinc-promoted reduction of 2-(bromomethyl)alkenoates derived from Baylis-Hillman adducts. Synthesis of the male ant pheromone (E)-2,4-dimethyl-2- hexenoic acid was performed using this simple methodology. (E)-2-Methylacrylates are easily prepared by zinc-promoted reduction of 2-(bromomethyl)alkenoates derived from Baylis-Hillman adducts. Synthesis of the male ant pheromone (E)-2,4-dimethyl-2-hexenoic acid was performed using this simple methodology.

SmI2-mediated elimination reaction of Baylis-Hillman adducts controlled by temperature: A facile synthesis of trisubstituted alkenes and 1,5-hexadiene derivatives with E-stereoselectivity

Li, Jian,Qian, Weixing,Zhang, Yongmin

, p. 5793 - 5798 (2007/10/03)

Promoted by samarium diiodide, the Baylis-Hillman adducts undergo hydroxyl elimination to form trisubstituted alkenes with total (E)-stereoselectivity in good to excellent yields. The flexibility of this method also opens a new route to synthesize a class of 1,5-hexadiene derivatives by temperature tuning.

Reductive dehydroxylation of Baylis-Hillman adducts with low-valent titanium reagent: Syntheses of stereoselective trisubstituted alkenes

Shadakshari, Uma,Nayak, Sandip K.

, p. 4599 - 4602 (2007/10/03)

The Baylis-Hillman adducts prepared from aromatic aldehydes and methyl acrylate underwent smooth dehydroxylation with concomitant olefin isomerisation with low-valent titanium reagent to provide the trisubstituted alkenes with high (E)-selectivity.

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