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1H-Pyrrole-1,2-dicarboxylic acid, 5-bromo-, 1-(1,1-dimethylethyl) ester is a chemical compound characterized by its off-white to light beige crystalline appearance. It has a molecular formula of C9H11BrNO4 and a molecular weight of 274.093 g/mol. 1H-Pyrrole-1,2-dicarboxylic acid, 5-bromo-, 1-(1,1-dimethylethyl) ester features a pyrrole core, a heterocyclic aromatic organic compound that is a fundamental component in many pharmaceuticals and complex organic molecules. In addition to the pyrrole core, it contains a bromine atom, carboxyl groups, and an isobutyl group. However, there is limited information available regarding its specific applications or safety data.

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    Cas No: 117657-41-7

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  • 5-Bromo-1,2-dicarboxylic acid-1H-Pyrrole 1-(1,1-dimethylethyl) ester

    Cas No: 117657-41-7

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  • 117657-41-7 Structure
  • Basic information

    1. Product Name: 1H-Pyrrole-1,2-dicarboxylic acid, 5-bromo-, 1-(1,1-dimethylethyl) ester
    2. Synonyms: 1H-Pyrrole-1,2-dicarboxylic acid, 5-bromo-, 1-(1,1-dimethylethyl) ester;5-BroMo-1-(tert-butoxycarbonyl)-1H-pyrrole-2-carboxylic acid
    3. CAS NO:117657-41-7
    4. Molecular Formula: C10H12BrNO4
    5. Molecular Weight: 290.12
    6. EINECS: N/A
    7. Product Categories: API intermediates
    8. Mol File: 117657-41-7.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 395.145 °C at 760 mmHg
    3. Flash Point: 192.777 °C
    4. Appearance: /
    5. Density: 1.53 g/cm3
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. CAS DataBase Reference: 1H-Pyrrole-1,2-dicarboxylic acid, 5-bromo-, 1-(1,1-dimethylethyl) ester(CAS DataBase Reference)
    10. NIST Chemistry Reference: 1H-Pyrrole-1,2-dicarboxylic acid, 5-bromo-, 1-(1,1-dimethylethyl) ester(117657-41-7)
    11. EPA Substance Registry System: 1H-Pyrrole-1,2-dicarboxylic acid, 5-bromo-, 1-(1,1-dimethylethyl) ester(117657-41-7)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 117657-41-7(Hazardous Substances Data)

117657-41-7 Usage

Uses

Due to the limited information provided, the specific applications of 1H-Pyrrole-1,2-dicarboxylic acid, 5-bromo-, 1-(1,1-dimethylethyl) ester are not clearly defined. However, given its chemical structure and the presence of a pyrrole core, it can be inferred that it may have potential uses in various industries, such as:
Used in Pharmaceutical Industry:
1H-Pyrrole-1,2-dicarboxylic acid, 5-bromo-, 1-(1,1-dimethylethyl) ester may be used as an intermediate or building block in the synthesis of pharmaceutical compounds, given the pyrrole core's importance in many drugs.
Used in Chemical Research:
1H-Pyrrole-1,2-dicarboxylic acid, 5-bromo-, 1-(1,1-dimethylethyl) ester could be utilized in chemical research for studying the properties and reactions of pyrrole-based compounds, as well as exploring its potential reactivity with other chemical entities.
Used in Material Science:
The presence of bromine and isobutyl groups may suggest potential applications in the development of new materials with specific properties, such as polymers or other organic materials.

Check Digit Verification of cas no

The CAS Registry Mumber 117657-41-7 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 1 respectively.
Calculate Digit Verification of CAS Registry Number 117657-41:
(8*1)+(7*1)+(6*7)+(5*6)+(4*5)+(3*7)+(2*4)+(1*1)=137
137 % 10 = 7
So 117657-41-7 is a valid CAS Registry Number.

117657-41-7SDS

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

1.2 Other means of identification

Product number -
Other names 5-Bromo-1-(tert-butoxycarbonyl)-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:117657-41-7 SDS

117657-41-7Downstream Products

117657-41-7Relevant articles and documents

2-Trifluoroacetylthiophenes, a novel series of potent and selective class II histone deacetylase inhibitors

Jones, Philip,Bottomley, Matthew J.,Carfi, Andrea,Cecchetti, Ottavia,Ferrigno, Federica,Lo Surdo, Paola,Ontoria, Jesus M.,Rowley, Michael,Scarpelli, Rita,Schultz-Fademrecht, Carsten,Steinkuehler, Christian

scheme or table, p. 3456 - 3461 (2009/04/05)

The identification of class II HDAC inhibitors has been hampered by lack of efficient enzyme assays, in the preceding paper two assays have been developed to improve the efficiency of these enzymes: mutating an active site histidine to tyrosine, or by the

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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