5101-44-0

Basic information

• Product Name: 2-ETHYNYL-PHENOL
• Synonyms: 2-ETHYNYL-PHENOL;Phenol, 2-ethynyl-;(2-Hydroxyphenyl)acetylene
• CAS NO: 5101-44-0
• Molecular Formula: C₈H₆O
• Molecular Weight: 118.13264
• Mol File: 5101-44-0.mol
• Article Data: 21

Chemical Properties

• Melting Point: 19 °C
• Boiling Point: 200.9 °C at 760 mmHg
• Flash Point: 87.4 °C
• Appearance: /
• Density: 1.12
• Vapor Pressure: 0.223mmHg at 25°C
• Refractive Index: 1.589
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• PKA: 8.62±0.30(Predicted)
• CAS DataBase Reference: 2-ETHYNYL-PHENOL(CAS DataBase Reference)
• NIST Chemistry Reference: 2-ETHYNYL-PHENOL(5101-44-0)
• EPA Substance Registry System: 2-ETHYNYL-PHENOL(5101-44-0)

Safety Data

• RIDADR: 3261
• HazardClass: 8
• PackingGroup: Ⅱ
• Hazardous Substances Data: 5101-44-0(Hazardous Substances Data)

Usage

General Description

2-Ethynyl-phenol is a chemical compound that belongs to the class of organic compounds known as phenols. It is an aromatic chemical substance characterized by the presence of a hydroxyl (OH) group attached to an ethynyl group substituted phenyl ring. Its molecular formula is C8H6O, and its molecular weight is 118.1 g/mol. 2-ETHYNYL-PHENOL appears as a liquid and has a unique odor. Some of its possible applications could involve the production of certain types of resins, adhesives, plastics, and pharmaceuticals. However, as with all chemicals, it needs to be carefully managed to avoid possible health hazards.

InChI:InChI=1/C8H6O/c1-2-7-5-3-4-6-8(7)9/h1,3-6,9H

Upstream product

• 271-89-6 1-benzofurane 
• 59214-70-9 3-bromobenzofuran 
• 109-72-8 n-butyllithium 
• 60-29-7 diethyl ether 
• 767-91-9 1-ethynyl-2-methoxybenzene 
• 533-58-4 2-Iodophenol 
• 74-86-2 acetylene 
• 95-56-7 2-hydroxybromobenzene 
• 17975-50-7 4-(o-hydroxyphenylmethylidene)-3-methylisoxazol-5(4H)-one 
• 90-02-8 salicylaldehyde 
• 579-74-8 2-Methoxyacetophenone 
• 135-02-4 ortho-anisaldehyde 
• 90585-32-3 1,1-dibromo-2-(2-methoxyphenyl)ethene 
• 196106-22-6 2-iodo-1-(1-tetrahydro-2H-pyranyloxy)benzene 

Downstream Products

• 97318-60-0 2,2'-butadiynediyl-di-phenol 
• 39165-11-2 4-(3-benzofuran-2-yl-prop-2-ynyl)-morpholine 
• 99209-63-9 2-(4-methyl-1-pentyn-1-yl)phenol 
• 121499-33-0 o,o'-Bis-<ω-carboxy-nonanoyloxy>-diphenyldiacetylen 
• 94465-00-6 cis-1,4-Bis-(2-ethinyl-phenoxy)-buten-⁽²⁾ 
• 94465-00-6 trans-1,4-Bis-(2-ethinyl-phenoxy)-buten-⁽²⁾ 
• 93327-65-2 Bis-(2-ethinyl-phenoxy)-methan 
• 88856-14-8 1,4-Bis-(2-ethinyl-phenoxy)-benzol 
• 198758-75-7 2-(2-Ethynyl-phenoxy)-2-methoxy-5,5-dimethyl-2,5-dihydro-[1,3,4]oxadiazole 

Relevant articles and documents

A Facile Construction of Bisheterocyclic Methane Scaffolds through Palladium-Catalyzed Domino Cyclization

A convenient palladium-catalyzed domino cyclization reaction for the construction of bis(benzofuranyl)methane scaffolds bearing an all-carbon quaternary center has been described. In the cascade process, one C(sp2)—O bond, two C(sp2)—C(sp3) bonds as well as two benzofuran rings are formed in a single synthetic sequence. The approach shows wide scope of substrates and good functional-group tolerance. Moreover, this methodology is successfully extended to the synthesis of benzofuranyl methyl chromane derivatives.

Catalytic Transformations of Alkynes into either α-Alkoxy or α-Aryl Enolates: Mannich Reactions by Cooperative Catalysis and Evidence for Nucleophile-Directed Chemoselectivity

The catalytic formation of gold enolates from alkynes, nitrones, and nucleophiles is described, and their Mannich reactions result in nucleophile-directed chemoselectivity through cooperative catalysis. For 1-alkyn-4-ols and 2-ethynylphenols, their gold-catalyzed nitrone oxidations afforded N-containing dihydrofuran-3(2H)-ones with syn selectivity. The mechanism involves the Mannich reactions of gold enolates with imines through an O-H-N hydrogen-bonding motif. For aryloxyethynes, their gold enolates react selectively with nitrones to deliver 3-alkylidenebenzofuran-2-ones, as controlled by a C-H-O hydrogen-bonding motif.

Acetylenes from Aldehydes. Preparation of Ethynylphenols and Phenylacetylenes by Flash Vacuum Pyrolysis of Isoxazolones

The flash vacuum pyrolysis method of synthesis of acetylenes from aldehydes via isoxazolones is a convenient method for the preparation of a variety of derivatives, including kinetically unstable, sensitive compounds such as the ethynylphenols.