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1H-Pyrrole-2-carboxylic acid, 4-acetyl-3,5-dimethyl-, phenylmethyl ester is a complex organic compound with the chemical formula C16H17NO3. It is a derivative of pyrrole-2-carboxylic acid, featuring an acetyl group at the 4-position, and two methyl groups at the 3 and 5 positions. The phenylmethyl ester group is attached to the carboxylic acid, indicating the presence of a benzyl ester. 1H-Pyrrole-2-carboxylic acid, 4-acetyl-3,5-dimethyl-, phenylmethyl ester is characterized by its unique molecular structure, which includes a pyrrole ring, an acetyl group, and a phenylmethyl ester, making it a potentially valuable compound in the field of organic chemistry and pharmaceuticals. Its specific applications and properties would depend on its reactivity, stability, and potential interactions with other molecules, which could be explored through further chemical analysis and research.

2386-27-8

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2386-27-8 Usage

Appearance

Yellow to brown solid

Odor

Sweet, floral

Uses

Building block in the synthesis of various compounds (e.g. pharmaceuticals, agrochemicals), potential candidate for new material development

Handling

Primarily handled by trained professionals due to potential hazards

Check Digit Verification of cas no

The CAS Registry Mumber 2386-27-8 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,3,8 and 6 respectively; the second part has 2 digits, 2 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 2386-27:
(6*2)+(5*3)+(4*8)+(3*6)+(2*2)+(1*7)=88
88 % 10 = 8
So 2386-27-8 is a valid CAS Registry Number.

2386-27-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name Benzyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

1.2 Other means of identification

Product number -
Other names 4-Acetyl-2-amino-5-methyl-furan-3-carbonsaeure-aethylester

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:2386-27-8 SDS

2386-27-8Relevant academic research and scientific papers

Steric control of mesocate and helicate formation: Bulky pyrrol-2-yl Schiff base complexes of Zn2+

Gorden, A. E. V.,Gorden, J. D.,Hiti, E. A.,Mayhugh, J. T.,Niklas, J. E.,Wilkinson, G. R.

supporting information, (2022/01/14)

Regioisomerism about a phenyl spacer alters the number of nuclei which participate in self-assembly with pyrrole/schiff base ditopic ligands. The bulky benzyl ester substituents favor formation of di- and tetranuclear (but not trinuclear) complexes. The r

Pyrrophens: Pyrrole-Based Hexadentate Ligands Tailor-Made for Uranyl (UO22+) Coordination and Molecular Recognition

Forbes, Madeleine G.,Gorden, Anne E. V.,Gorden, John D.,Mayhugh, Jacob T.,Niklas, Julie E.

, (2020/07/14)

Derivatives of a novel pyrrole-containing Schiff base ligand system (called "pyrrophen") are presented which feature substituted phenylene linkers (R1 = R2 = H (H2L1); R1 = R2 = CH3 (H2L2)) and a binding pocket modeled after macrocyclic species. These lig

Total synthesis of hematoporphyrin and protoporphyrin; A conceptually new approach

Martin, Pierre,Mueller, Markus,Flubacher, Dietmar,Boudier, Andreas,Spielvogel, Dirk

, p. 204 - 206 (2013/07/05)

The total synthesis of protoporphyrin IX and its disodium salt using a new alternative method to the classical MacDonald condensation is reported. The key step is the reaction of the new unsymmetrical diiodo dipyrrylmethane 1 with the known dipyrrylmethane 2. Coupling of the two fragments leads directly to porphyrin 3 without the need of an oxidizing agent. The new methodology is well suited for the synthesis of protoporphyrin IX derivatives on a multi-100 g scale in good quality without the need for chromatography. Furthermore, these preparations are completely free of any contaminant of animal origin, which represents a real improvement in the manufacturing of protoporphyrin IX derivatives. Schweizerische Chemische Gesellschaft.

Total synthesis of hematoporphyrin and protoporphyrin: A conceptually new approach

Martin, Pierre,Mueller, Markus,Flubacher, Dietmar,Boudier, Andreas,Blaser, Hans-Ulrich,Spielvogel, Dirk

experimental part, p. 799 - 804 (2011/03/19)

The total synthesis of protoporphyrin IX and its disodium salt using a new alternative method to the classical MacDonald condensation is reported. The key step is the reaction of the new unsymmetrical diiodo dipyrrylmethane 1 with the known dipyrrylmethane 2. Coupling of the two fragments leads directly to porphyrin 3 without the need of an oxidizing agent. The new methodology is well suited for the synthesis of protoporphyrin IX derivatives on a multi 100 g scale in good quality without the need for chromatography. Furthermore, these preparations are completely free of any contaminant of animal origin, which represents a real improvement in the manufacturing of protoporphyrin IX derivatives.

Process For Preparing Porphyrin Derivatives, Such As Protoporphyrin (IX) And Synthesis Intermediates

-

Page/Page column 12; 16, (2008/12/07)

The present invention relates to a process for preparing a porphyrin of formula (I), optionally in the form of a salt with an alkali metal and/or in the form of a metal complex: in which: R and R′ are as defined in claim 1, comprising: a step of condensation, in an acidic medium, between a dipyrromethane of formula (II): in which R′b is as defined above for (I), and a dipyrromethane of formula (III): in which R″ is as defined in claim 1, and also the compounds of formula (III).

Effect of meso-substituents on the osmium tetraoxide reaction and pinacol-pinacolone rearrangement of the corresponding vic-dihydroxyporphyrins

Chen,Medforth,Smith,Alderfer,Dougherty,Pandey

, p. 3930 - 3939 (2007/10/03)

To investigate the effects of electron-donating and electron-withdrawing substituents upon the reaction of porphyrins with osmium tetraoxide, and the pinacol-pinacolone rearrangement of the resulting diols, a series of meso-substituted porphyrins were prepared by total synthesis. Porphyrins with electron-donating substitutents at the meso-positions gave vic-dihydroxychlorins in which the adjacent pyrrole subunit was predominantly oxidized. No such selectivity was observed in a porphyrin containing a methoxycarbonyl as the electron-withdrawing group, whereas a formyl substituent again resulted in oxidation at the pyrrole unit adjacent to the meso-substituent. Under pinacol-pinacolone conditions, vic-dihydroxy chlorins containing 4-methoxyphenyl or 3,5-dimethoxyphenyl groups at the meso-position showed preferential migration of the ethyl group over the methyl group to give 8-ketochlorins, whereas the diol with an n-heptyl substituent under similar reaction conditions gave both 7- and 8-ketochlorins. In contrast, the diol containing a meso-formyl substituent produced the corresponding 7-ketochlorin exclusively. These results indicate that it is not possible to predict the reactivity of meso-substituted porphyrins in the osmium tetraoxide reaction nor the general substituent migratory aptitudes in the pinacol-pinacolone rearrangement based on simple electronic arguments, most likely because many parameters (e.g., meso-β-pyrrolic steric crowding and long-range electronic effects) ultimately determine the reactivity. The structural assignments of the porphyrin diols and the keto-analogues were confirmed by extensive 1H NMR studies; some of the dihydroxychlorins and ketochlorins were found to display unusual features in their 1H NMR spectra.

THE TOTAL SYNTHESIS OF BILIVERDINS OF BIOLOGICAL INTEREST

Awruch, Josefina,Frydman, Benjamin

, p. 4137 - 4146 (2007/10/02)

The total synthesis of eight biliverdin isomers was achieved by oxidation of the corresponding 1,19-di-t-butyloxycarbonyl-b-bilenes.One of the biliverdin isomers is mesobiliverdin IXα - a dipropionate bilitriene -, one is a diacetate bilitriene, three iso

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