669713-98-8

Basic information

• Product Name: 4-(2'-N-BOC-PYRROLE)BENZOIC ACID
• Synonyms: 2-(4-Carboxyphenyl)-1H-pyrrole-1-carboxylic acid 1-(1,1-dimethylethyl) ester;1H-Pyrrole-1-carboxylic acid, 2-(4-carboxyphenyl)-, 1-(1,1-dimethylethyl) ester;4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]benzoic acid
• CAS NO: 669713-98-8
• Molecular Formula: C₁₆H₁₇NO₄
• Molecular Weight: 287.313
• Mol File: 669713-98-8.mol

Chemical Properties

• Boiling Point: 454.3°C at 760 mmHg
• Flash Point: 228.5°C
• Appearance: /
• Density: 1.17g/cm³
• Vapor Pressure: 4.83E-09mmHg at 25°C
• Refractive Index: 1.558
• PKA: 4.21±0.10(Predicted)
• CAS DataBase Reference: 4-(2'-N-BOC-PYRROLE)BENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(2'-N-BOC-PYRROLE)BENZOIC ACID(669713-98-8)
• EPA Substance Registry System: 4-(2'-N-BOC-PYRROLE)BENZOIC ACID(669713-98-8)

Safety Data

• Hazardous Substances Data: 669713-98-8(Hazardous Substances Data)

Usage

Uses

Used in Organic Synthesis:
4-(2'-N-BOC-PYRROLE)BENZOIC ACID is used as a reagent for various organic synthesis processes. Its unique structure, which includes both pyrrole and benzoic acid groups, allows it to participate in a range of chemical reactions, making it a valuable tool in the synthesis of complex organic molecules.
Used in Drug Formulation:
In the pharmaceutical industry, 4-(2'-N-BOC-PYRROLE)BENZOIC ACID is used as a reagent in the formulation of drugs. Its properties as a protective group in peptide synthesis can help in the development of new drug candidates by preventing unwanted side reactions during the synthesis process.
Used in Scientific Research:
4-(2'-N-BOC-PYRROLE)BENZOIC ACID is used as a research chemical in laboratories. Its unique structure and properties make it an interesting subject for scientific studies, where researchers can explore its potential applications and interactions with other compounds.
Used in Peptide Synthesis:
In the field of peptide synthesis, 4-(2'-N-BOC-PYRROLE)BENZOIC ACID is used as a protective group to prevent self-reactivity of the compounds. This allows for more controlled and efficient synthesis of peptides, which can be crucial in the development of new therapeutic agents.

InChI:InChI=1/C16H17NO4/c1-16(2,3)21-15(20)17-10-4-5-13(17)11-6-8-12(9-7-11)14(18)19/h4-10H,1-3H3,(H,18,19)

Upstream product

• 150-13-0 4-amino-benzoic acid 
• 5176-27-2 N-tert-butyloxycarbonyl-pyrrole 
• 456-25-7 p-carboxyphenyl diazonium tetrafluoroborate 
• 619-58-9 4-iodobenzoic acid 
• 135884-31-0 N-boc-2-pyrroleboronic acid 

Downstream Products

• 1329058-98-1 2-(4-carboxyphenyl)pyrrole 
• 1329059-18-8 1-(5-(4-carboxyphenyl)pyrrol-2-yl)-3-(5-(3,4,5-trihexadecyloxyphenyl)pyrrol-2-yl)-1,3-propanedione 
• 1329059-20-2 F₂(C₃HO₂B)(C₄H₃N)2((C₆H₄)CO₂H)((C₆H₂)(OC₁₆H₃₃)3) 
• 1329059-29-1 1-(5-(4-carboxyphenyl)pyrrol-2-yl)-3-(5-(3,4,5-tridodecyloxyphenyl)pyrrol-2-yl)-1,3-propanedione 
• 1329059-30-4 C₆₀H₈₉BF₂N₂O₇ 
• 1329059-33-7 C₁₆H₃₆N⁽¹⁺⁾*C₆₀H₈₈BF₂N₂O₇^(1-) 

Relevant articles and documents

Sensitized photografting of diazonium salts by visible light.

Visible irradiation of a gold surface dipped into a solution of diversely substituted aryldiazonium salts in the presence of a photosensitizer (Ru(bipy)32+ or eosinY) leads to a modification of the surface by attached aryl groups. A grafted nanometer thick polyphenylene film is obtained. The reaction is extended to a polyvinylchloride (PVC) surface. The mechanism proposed for the formation of this film involves the formation of an aryl radical that reacts with the surface and then with the first grafted aryl group. The film is characterized by infrared reflection absorption spectroscopy (IRRAS), X-ray photoelectron spectroscopy (XPS), water contact angles, and ellipsometry.

Self-sorting self-complementary assemblies of π-conjugated acyclic anion receptors

Pyrrole-based π-conjugated anion-responsive molecules bearing an anionic moiety form self-complementary dimers, which exhibit self-sorting behaviours depending on the substituted positions of anionic sites.