78757-00-3

Basic information

• Product Name: 3-(1,3-BENZOXAZOL-2-YL)PROPANOIC ACID
• Synonyms: 2-Benzoxazolepropanoic acid;3-(1,3-benzoxazol-2-yl)propionic acid
• CAS NO: 78757-00-3
• Molecular Formula: C₁₀H₉NO₃
• Molecular Weight: 191.19
• Mol File: 78757-00-3.mol

Chemical Properties

• Boiling Point: 362.8°C at 760 mmHg
• Flash Point: 173.2°C
• Appearance: /
• Vapor Pressure: 6.7E-06mmHg at 25°C
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 3-(1,3-BENZOXAZOL-2-YL)PROPANOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(1,3-BENZOXAZOL-2-YL)PROPANOIC ACID(78757-00-3)
• EPA Substance Registry System: 3-(1,3-BENZOXAZOL-2-YL)PROPANOIC ACID(78757-00-3)

Safety Data

• Hazardous Substances Data: 78757-00-3(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
3-(1,3-Benzoxazol-2-yl)propanoic acid is used as a key building block in the synthesis of various pharmaceuticals. Its unique structure and chemical properties make it a promising candidate for the development of new drugs with potential applications in the treatment of cancer, inflammation, and neurological disorders. Researchers are actively exploring its potential as a precursor for the creation of novel therapeutic agents that can target specific biological pathways and offer improved efficacy and safety profiles.
Used in Agrochemical Industry:
In the agrochemical industry, 3-(1,3-benzoxazol-2-yl)propanoic acid is utilized as a building block for the synthesis of various agrochemicals. Its chemical properties allow it to be incorporated into the development of new pesticides, herbicides, and other crop protection agents. These compounds can help improve crop yields and protect plants from pests and diseases, contributing to sustainable agriculture and food security.
Used in Bioimaging Studies:
3-(1,3-Benzoxazol-2-yl)propanoic acid has also been investigated for its use as a fluorescent probe in bioimaging studies. Its fluorescent properties make it a valuable tool for visualizing cellular structures and processes, as well as for tracking the behavior of molecules within biological systems. This application can aid researchers in gaining a deeper understanding of cellular mechanisms and in developing new diagnostic and therapeutic strategies.

InChI:InChI=1/C10H9NO3/c12-10(13)6-5-9-11-7-3-1-2-4-8(7)14-9/h1-4H,5-6H2,(H,12,13)/p-1

Upstream product

• 1026735-83-0 tert-butyl 2-benzoxazolylpropanoate 
• 108-30-5 succinic acid anhydride 
• 95-55-6 2-amino-phenol 
• 110-15-6 succinic acid 
• 95-21-6 2-methyl-1,3-benzoxazole 

Downstream Products

• 1373037-79-6 (S)-3-(3-(benzo[d]oxazol-2-yl)propanoyl)-4-benzyl-5,5-dimethyloxazolidin-2-one 
• 1373038-07-3 C₂₃H₂₁F₃N₂O₄ 
• 1373038-17-5 C₂₃H₂₁F₃N₂O₄ 

Relevant articles and documents

An efficient synthesis of novel di-heterocyclic benzazole derivatives and evaluation of their antiproliferative activities

A series of unsymmetrical nine di-heterocyclic compounds of benzazole derivatives were synthesized at one step via cyclization reaction. The compounds evaluated for in?vitro cytotoxic activity against A549, A498, HeLa, and HepG2 cancer cell lines. The biological evaluation results show that 23, 26 and 29 exhibit better activity against HepG2 and HeLa cancer cell lines. Compound 23 also showed good activity against A549, and A498 cancer cell lines. The analogs were further performed molecular docking studies against human cytochrome P450 2C8 monooxygenase enzyme, calculated some theoretical quantum parameters, ADMET descriptor and molecular electrostatic potential analysis. The strategy applied in this research work may act as a perspective for the rational design of potential anticancer drugs. Communicated by Ramaswamy H. Sarma.

Microwave-assisted direct synthesis of 2-substituted benzoxazoles from carboxylic acids under catalyst and solvent-free conditions

A direct coupling of carboxylic acids with 2-aminophenol under microwave irradiation has been achieved leading to the synthesis of 2-substituted benzoxazoles under metal and solvent-free conditions. Aliphatic, aromatic and heteroaromatic carboxylic acids provide good yields. Benzoxazole formation takes place in the presence of chloro, methoxy, phenoxy, thiophenoxy, and α,β-unsaturated functionalities. In the case of dicarboxylic acids, the reaction proceeds via the formation of the corresponding anhydride with predominant formation of the mono-benzoxazole. Georg Thieme Verlag Stuttgart.

Cycloaddition Reactions of Pyridinium and Related Azomethine Ylides

The Rh(II)-catalyzed reaction of α-diazoacetophenone in the presence of 2-(methylthio)pyridine and dimethyl acetylenedicarboxylate gave 3-benzoyl-1,2-dicarbomethoxy-3,5-dihydro-5-(methylthio)indolizine.The formation of the cycloadduct proceeds via a pyrid

Benzoquinone derivatives and production thereof

A novel benzoquinone derivative of the general formula: STR1 [wherein R1 and R2 are the same or different and each is methyl or methoxy; n is an integer of 0 to 21; m is 0 or 1, Z is a group of the formula: STR2 (wherein R3 and R4 are the same or different and each is hydrogen or an alkyl group which may optionally be substituted or, R3 and R4 together with the adjacent nitrogen atom form a morpholino group), a group of the formula: --COR5 (wherein R5 is an α-amino acid residue or a substituted or unsubstituted glucosamine residue), a group of the formula: STR3 (wherein R6 is a divalent hydrocarbon group of 1 to 3 carbon atoms), a group of the formula: STR4 (wherein R6 has the same meaning as defined above) or a group of the formula: --CH=CHl --COR7 (wherein l is an integer of 1 to 4 and R7 is hydroxy, methoxy or methyl)] has protocollagen-proline hydroxylase inhibiting activity, collagen biosynthesis inhibiting activity and 5-lipoxygenase suppressant activity, and is useful for the prevention and treatment of such diseases as pulmonary fibrosis, hepatocirrhosis, nephrosclerosis, arteriosclerosis, scleroderma, myelofibrosis and chronic arthritis or for the prevention and treatment of asthma, allergic rhinitis, urticaria, etc.