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1-(tert-Butoxycarbonyl)-1H-pyrrole-2-carboxylic acid is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

117657-40-6

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117657-40-6 Usage

Chemical class

Pyrrole derivatives

Application

Organic synthesis, medicinal chemistry, pharmaceuticals, agrochemicals, and materials science

Functional groups

Carboxylic acid, tert-butoxycarbonyl (tBoc) protective group

Structure

The tBoc group is attached to the nitrogen atom of the pyrrole ring

Role of tBoc group

Provides stability and protection for the pyrrole nitrogen during chemical reactions

Importance

Versatile intermediate in the synthesis of complex molecules and bioactive compounds

Molecular weight

197.21 g/mol

Physical state

Solid

Solubility

Soluble in organic solvents such as dichloromethane, ethyl acetate, and acetone

Melting point

Variable, depending on the specific synthesis and purification method

Reactivity

Reacts with various reagents to form different pyrrole-based compounds

Synthesis

Typically synthesized through the reaction of pyrrole-2-carboxylic acid with di-tert-butyl dicarbonate (Boc2O) in the presence of a base

Purification

Recrystallization or column chromatography can be used to purify the compound

Storage

Should be stored in a cool, dry place, protected from light and moisture

Safety

Handle with care, using appropriate personal protective equipment (PPE) and following proper laboratory safety protocols

Hazards

May cause eye, skin, and respiratory irritation; avoid ingestion and inhalation

Disposal

Dispose of in accordance with local regulations and guidelines for chemical waste

Environmental impact

Minimal, if handled and disposed of properly according to safety guidelines

Check Digit Verification of cas no

The CAS Registry Mumber 117657-40-6 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,7,6,5 and 7 respectively; the second part has 2 digits, 4 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 117657-40:
(8*1)+(7*1)+(6*7)+(5*6)+(4*5)+(3*7)+(2*4)+(1*0)=136
136 % 10 = 6
So 117657-40-6 is a valid CAS Registry Number.

117657-40-6SDS

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 1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrole-2-carboxylic acid

1.2 Other means of identification

Product number -
Other names 1-BOC-1H-PYRROLE-2-CARBOXYLIC ACID

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:117657-40-6 SDS

117657-40-6Downstream Products

117657-40-6Relevant academic research and scientific papers

INHIBITOR COMPOUNDS FOR MALE CONTRACEPTION

-

Page/Page column 109, (2020/07/07)

Pyrazole compounds and piperazine compounds that are inhibitors of ALDH1A1 and ALDH1A2 and methods for using the pyrazole compounds and piperazine compounds in male contraceptive compositions for preventing spermatogenesis.

Asymmetric Total Synthesis of (+)-Ryanodol and (+)-Ryanodine

Masuda, Kengo,Koshimizu, Masaki,Nagatomo, Masanori,Inoue, Masayuki

supporting information, p. 230 - 236 (2016/01/25)

(+)-Ryanodine (1) is the ester derivative of 1H-pyrrole-2-carboxylic acid and the complex terpenoid (+)-ryanodol (2), which possesses eleven contiguous stereogenic centers on the ABCDE-ring system. Compound 1 is known to be a potent modulator of intracellular calcium release channels, whereas the activity of 2 is significantly weaker. To chemically construct 1, the multiple oxygen functional groups must be installed on the fused pentacycle in stereoselective fashions and the extremely hindered C3-hydroxy group must be acylated in a site-selective manner. First, the total synthesis of 2 was accomplished by introducing the five stereocenters from the previously prepared enantiopure ABDE-ring 7. Stereoselective construction of the C3-secondary, C2- and C6-tertiary alcohols was achieved by three nucleophilic reactions. The C9- and C10-trisubstituted carbon centers were regio- and stereoselectively introduced by hydroboration/oxidation of the six-membered C-ring, which was formed by the ring-closing metathesis reaction. Direct esterification of the C3-alcohol with pyrrole-2-carboxylic acid proved unsuccessful; therefore, we developed a new, two-step protocol for attachment of the pyrrole moiety. The C3-hydroxy group was first converted into the less sterically cumbersome glycine ester, which was then transformed into the pyrrole ring through condensation with 1,3-bis(dimethylamino)allylium tetrafluoroborate. This procedure resulted in the first total synthesis of 1.

BRANIMYCIN DERIVATIVES AND THEIR USE FOR THE TREATMENT OF BACTERIAL INFECTIOUS DISEASES

-

Paragraph 00130, (2015/03/16)

A compound is disclosed that has a formula represented by Formula (I). The novel compound of the invention may be prepared as a pharmaceutical composition, and may be useful in the treatment of infectious diseases, in particular bacterial infectious disea

BRANIMYCIN DERIVATIVES AND THEIR USE FOR THE TREATMENT OF BACTERIAL INFECTIOUS DISEASES

-

Paragraph 00179, (2015/03/16)

Compounds are disclosed that have a formula represented by Formula (I) wherein A, B, R1, R2 and R3 are as defined herein. Novel compounds of the invention may be prepared as a pharmaceutical composition, and may be useful in the treatment of infectious diseases, in particular bacterial infectious diseases. The compounds may be active against a specific enzyme in the bacterial DNA replicative process, DNA polymerase IIIE.

CONVENIENT SYNTHETIC EQUIVALENTS OF 2-LITHIOPYRROLE AND 2,5-DILITHIOPYRROLE.

Chen, Wha,Cava, Michael P.

, p. 6025 - 6026 (2007/10/02)

Bromination of pyrrole by 1,3-dibromo-5,5-dimethylhydantoin, followed by direct reaction with BOC anhydride and DMAP, affords the stable N-BOC derivatives of 2-bromopyrrole and 2,5-dibromopyrrole.Lithium-halogen exchange of the latter with n-butyllithium generates the N-BOC derivatives of 2-lithiopyrrole, 2,5-dilithiopyrrole or 5-bromo-2-lithiopyrrole,which react with various electrophiles to give substituted N-BOC pyrroles in excellent yield.

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