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
• Article Data: 2

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

General Description

4-(2'-N-BOC-PYRROLE)BENZOIC ACID is a chemical compound used for various scientific and research purposes. This chemical belongs to a group of substances that are highly used for their properties as reagents in organic synthesis and drug formulation. The N-BOC group in the compound denotes a protective group used in peptide synthesis, specifically to avoid self-reactivity of the compounds. The term 'pyrrole' in its name hints at the presence of a pyrrole group, a heterocyclic aromatic organic compound. Meanwhile, 'benzoic acid' is a carboxylic acid, suggesting that this chemical possesses the properties of both pyrrole and benzoic groups. As a research chemical, its major use is in laboratories and it's not designed for human or veterinary use. Its exact biological effects and safety profile are not clearly established and should only be handled by trained individuals.

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

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

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.