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3,4-Methylenedioxyphenylisobutylamine is an organic compound with a molecular structure that includes a phenyl ring with two methoxy groups at the 3 and 4 positions, and an isobutylamine side chain. It is related to certain psychoactive substances and has been a subject of interest in the field of pharmacology.

40742-32-3

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40742-32-3 Usage

Uses

Used in Pharmaceutical Research:
3,4-Methylenedioxyphenylisobutylamine is used as a research compound for understanding its potential psychoactive effects and exploring its applications in the development of new medications. Its structural similarity to known psychoactive substances makes it a valuable tool in studying the mechanisms of action and potential therapeutic uses.
Used in Recreational Drug Studies:
Due to its relationship with 3,4-Methylenedioxyamphetamine/MDA, a recreational drug, 3,4-methylenedioxyphenylisobutylamine is used as a subject of study in the field of recreational drug research. This helps in understanding the effects of similar compounds on human health and behavior, and contributes to the development of harm reduction strategies and policies.

Check Digit Verification of cas no

The CAS Registry Mumber 40742-32-3 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 4,0,7,4 and 2 respectively; the second part has 2 digits, 3 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 40742-32:
(7*4)+(6*0)+(5*7)+(4*4)+(3*2)+(2*3)+(1*2)=93
93 % 10 = 3
So 40742-32-3 is a valid CAS Registry Number.
InChI:InChI=1/C11H15NO2/c1-8(12)2-3-9-4-5-10-11(6-9)14-7-13-10/h4-6,8H,2-3,7,12H2,1H3

40742-32-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name α-methyl-1,3-benzodioxole-5-propanamine

1.2 Other means of identification

Product number -
Other names 4-(benzo[d][1,3]dioxol-5-yl)butan-2-amine

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:40742-32-3 SDS

40742-32-3Relevant academic research and scientific papers

CATALYST COMPOUNDS

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Paragraph 0314; 0322, (2015/03/28)

The present invention relates to an iridium-based catalyst compound for hydrogenating reducible moieties, especially imines and iminiums, the catalyst compounds being defined by the formulas: where ring B is either itself polycyclic, or ring B together with R is polycyclic. The catalysts of the invention are particularly effective in reductive amination procedures 10 which involve the in situ generation of the imine or iminium under reductive hydrogenative conditions.

Primary amines by transfer hydrogenative reductive amination of ketones by using cyclometalated IrIII catalysts

Talwar, Dinesh,Salguero, Noemi Poyatos,Robertson, Craig M.,Xiao, Jianliang

supporting information, p. 245 - 252 (2014/01/17)

Cyclometalated iridium complexes are found to be versatile catalysts for the direct reductive amination (DRA) of carbonyls to give primary amines under transfer-hydrogenation conditions with ammonium formate as both the nitrogen and hydrogen source. These complexes are easy to synthesise and their ligands can be easily tuned. The activity and chemoselectivity of the catalyst towards primary amines is excellent, with a substrate to catalyst ratio (S/C) of 1000 being feasible. Both aromatic and aliphatic primary amines were obtained in high yields. Moreover, a first example of homogeneously catalysed transfer-hydrogenative DRA has been realised for β-keto ethers, leading to the corresponding β-amino ethers. In addition, non-natural α-amino acids could also be obtained in excellent yields with this method. Reduce the work! A broad range of ketones have been successfully aminated to afford primary amines under transfer-hydrogenation conditions by using ammonium formate as the amine source and 0.1 mol % of a cyclometalated IrIII catalyst (see scheme). Copyright

CATALYST COMPOUNDS

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Paragraph 00163; 00171, (2013/11/05)

The present invention relates to an iridium-based catalyst compound for hydrogenating reducible moieties, especially imines and iminiums, the catalyst compounds being defined by the formulas: where ring B is either itself polycyclic, or ring B together with R is polycyclic. The catalysts of the invention are particularly effective in reductive amination procedures 10 which involve the in situ generation of the imine or iminium under reductive hydrogenative conditions.

A versatile catalyst for reductive animation by transfer hydrogenation

Wang, Chao,Pettman, Alan,Basca, John,Xiao, Jianliang

supporting information; experimental part, p. 7548 - 7552 (2010/12/19)

An iridium catalyst enables the reductive amination of carbonyl groups with unprecedented substrate scope, selectivity, and activity using formic acid as the hydrogen source (see scheme) The catalyst system provides significant improvement over commonly used boron hydrides.

Hydrogenolysis of 3-methyl-4-phenylmethyl-5(2H)-isoxazolone derivatives: A reinvestigation

Batra, Sanjay,Seth, M,Bhaduri, A P

, p. 60 - 62 (2007/10/02)

Hydrogenolysis of 3-methyl-4-phenylmethyl-5(2H)-isoxazolone (2a) and its derivatives 2b-e, 5a-e, 6a-e and 9a,b have been carried out over Pd/C and Raney-nickel.The products have been isolated and characterized.The intermediate products of hydrogenolysis of 2b-e have been trapped and simultaneous cleavage of N - O and C - C bonds in 9a,b has been suggested to explain the formation of the hydrogenolysis products 10a,b and 3a,b.

Derivatives related to betaxolol with α- and β-adrenergic activities

Leclerc,Decker,Schwartz

, p. 1357 - 1367 (2007/10/02)

The paper describes the synthesis and the pharmacological evaluation of some derivatives of betaxolol, all with an N-aralkylamine instead of the tertiobutylamine. These compounds have been tested for β1-adrenergic receptor antagonism on guinea pig atria, β2-adrenergic receptor antagonism on guinea pig trachea and α-adrenergic blocking activity on rat aorta. Compound U12 with a marked α-blocking activity and compound R8 with a β1/α ratio = 1 were selected for a haemodynamic study in the dog. The decrease in cardiac work and the diminution of total peripheral resistance exhibited by U12 are consistent with a dual α/β-blocking agent. Finally, structure-activity relationships are discussed.

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