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Benzoic acid, 4-[(2-methyl-1-oxo-2-propenyl)amino]-, ethyl ester, also known as ethyl 4-[(2-methyl-1-oxo-2-propenyl)amino]benzoate, is a chemical compound with the molecular formula C13H15NO3. It is an ester derivative of benzoic acid, where the hydroxyl group is replaced by an ethoxy group, and the 4-amino group is substituted with a 2-methyl-1-oxo-2-propenyl group. Benzoic acid, 4-[(2-methyl-1-oxo-2-propenyl)amino]-, ethyl ester is characterized by its aromatic structure, with a benzene ring and an amide-like side chain. It is typically used as an intermediate in the synthesis of various pharmaceuticals and agrochemicals, particularly those involving the benzoic acid framework. The compound's properties, such as its reactivity and solubility, make it a valuable building block in organic chemistry for the creation of more complex molecules.

6607-31-4

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6607-31-4 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 6607-31-4 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,6,0 and 7 respectively; the second part has 2 digits, 3 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 6607-31:
(6*6)+(5*6)+(4*0)+(3*7)+(2*3)+(1*1)=94
94 % 10 = 4
So 6607-31-4 is a valid CAS Registry Number.

6607-31-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-[(2-methyl-1-oxoprop-2-enyl)amino]benzoic acid ethyl ester

1.2 Other means of identification

Product number -
Other names ethyl N-[(2-methyl-1-oxoprop-2-enyl)amino]benzoate

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:6607-31-4 SDS

6607-31-4Relevant academic research and scientific papers

A benzene-bridged divanadium complex-early transition metal catalyst for alkene alkylarylation with PhI(O2CR)2viadecarboxylation

Zhang, Lei,Zhou, Hongfei,Bai, Shaokun,Li, Shaodan

supporting information, p. 3201 - 3206 (2021/03/16)

The synthesis, structure and catalytic activity of a benzene-bridged divanadium complex were comprehensively studied. The reduction of (Nacnac)VCl2(1) (Nacnac = (2,6-iPr2C6H3NCMe)2HC) supported by β-diketiminate with potassium graphite (KC8) by employing benzene as the solvent allows access to the benzene-bridged inverted-sandwich divanadium complex (μ-η6:η6-C6H6)[V(Nacnac)]2(2a), which can catalyze alkene alkylarylation with hypervalent iodine(iii) reagents (HIRs)viadecarboxylation to generate regioselectively diverse indolinones. Furthermore, the mild nature of this reaction was amenable to a wide range of functionalities on alkenes and HIRs. Mechanistic studies revealed a relay sequence of decarboxylative radical alkylation/radical arylation/oxidative re-aromatization.

The carbomethylation of arylacrylamides leading to 3-ethyl-3-substituted indolin-2-one by cascade radical addition/cyclization

Dai, Qiang,Yu, Jintao,Jiang, Yan,Guo, Songjin,Yang, Haitao,Cheng, Jiang

supporting information, p. 3865 - 3867 (2014/04/03)

An FeCl2-promoted carbomethylation of arylacrylamides by di-tert-butyl peroxide (DTBP) is achieved, leading to 3-ethyl-3-substituted indolin-2-one in high yield. The reaction tolerates a series of functional groups, such as cyano, nitro, ethyloxy carbonyl, bromo, chloro, and trifluoromethyl groups. The radical methylation and arylation of the alkenyl group are involved in this reaction. This journal is the Partner Organisations 2014.

Ruthenium-catalyzed oxidative synthesis of 2-pyridones through C-H/N-H bond functionalizations

Ackermann, Lutz,Lygin, Alexander V.,Hofmann, Nora

supporting information; experimental part, p. 3278 - 3281 (2011/08/06)

An inexpensive ruthenium catalyst enabled oxidative annulations of alkynes by acrylamides with ample scope, which allowed for the preparation of 2-pyridones employing various electron-rich and electron-deficient acrylamides as well as (di)aryl- and (di)alkyl-substituted alkynes.

A novel intramolecular photocyclization of N-(2-bromoalkanoyl) derivatives of 2-acylanilines via 1,8-hydrogen abstraction

Nishio, Takehiko,Koyama, Hiroyuki,Sasaki, Daigo,Sakamoto, Masami

, p. 996 - 1003 (2007/10/03)

The photochemical reactions of different N-(2-acylphenyl)-2-bromo-2- methylpropanamides have been investigated. Irradiation of the N-unsubstituted anilides 1a-1c gave the corresponding dehydrobromination, cyclization, and bromo-migration products 2, 3, and 4, respectively (Table 1). Irradiation of the N-alkyl anilides 1e-1g afforded the corresponding deacylation and cyclization products 5 and 6, respectively, whereas irradiation of the N-alkyl anilides 1i-1k, carrying 2-benzoyl groups on the aromatic rings, afforded the unexpected tricyclic lactams 7 (besides 2, 5, and 6). The formation of the cyclization products 6 could be rationalized in terms of an electrocyclic ring closure of the 6π-electron-conjugated enamides 2 produced by dehydrobromination of 1, followed by thermal 1,5-acyl migration (Path B in the Scheme). The formation of the bridged lactams 7 probably follows a mechanism involving the 1,7-diradical 8 generated by ζ-H-abstraction (1.8-H transfer) by an excited acyl O-atom (Path A).

Photochemical reactions of N-(2-halogenoalkanoyl) derivatives of anilines

Nishio, Takehiko,Asai, Hidenori,Miyazaki, Takenori

, p. 1475 - 1483 (2007/10/03)

The photochemical reactions of 2-substituted N-(2-halogenoalkanoyl) derivatives 1 of anilines and 5 of cyclic amines are described. Under irradiation, 2-bromo-2-methylpropananilides 1a-e undergo exclusively dehydrobromination to give N-aryl-2-methylprop-2-enamides (= methacrylanilides) 3a-e (Scheme 1 and Table 1). On irradiation of N-alkyl- and N-phenyl-substituted 2-bromo-2-methylpropananilides 1f-m, cyclization products, i.e. 1,3-dihydro-2H-indol-2-ones (= oxindoles) 2f-m and 3,4- dihydroquinolin-2(1H)-ones (= dihydrocarbostyrils) 4f-m, are obtained, besides 3f-m. On the other hand, irradiation of N-methyl-substituted 2- chloro-2-phenylacetanilides 1o-q and 2-chloroacetanilide 1r gives oxindoles 2o-r as the sole product, but in low yields (Scheme 3 and Table 2). The photocyclization of the corresponding N-phenyl derivatives 1s-v to oxindoles 2s-v proceeds smoothly. A plausible mechanism for the formation of the photoproducts is proposed (Scheme 4). Irradiation of N-(2-halogenoalkanoyl) derivatives of cyclic amines 5a-c yields the cyclization products, i.e. five- membered lactams 6a, b, and/or dehydrohalogenation products 7a,c and their cyclization products 8a,c, depending on the ring size of the amines (Scheme 5 and Table 3).

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