4-ETHYNYLBENZYL ALCOHOL 97

Base Information

• Chemical Name: 4-ETHYNYLBENZYL ALCOHOL 97
• CAS No.: 10602-04-7
• Molecular Formula: C9H8 O
• Molecular Weight: 132.162
• Hs Code.: 2906299090
• European Community (EC) Number: 627-942-0
• DSSTox Substance ID: DTXSID70457502
• Nikkaji Number: J1.621.897I
• Wikidata: Q72477725
• Mol file: 10602-04-7.mol

Synonyms:Benzylalcohol, p-ethynyl- (7CI,8CI); 1-Ethynyl-4-(hydroxymethyl)benzene;4-Ethynylbenzyl alcohol; 4-Hydroxymethylphenylacetylene

Chemical Property of 4-ETHYNYLBENZYL ALCOHOL 97

Chemical Property:

• Vapor Pressure: 0.0216mmHg at 25°C
• Melting Point: 40-44 °C(lit.)
• Refractive Index: 1.572
• Boiling Point: 239.6±23.0℃ (760 Torr)
• PKA: 14.13±0.10(Predicted)
• Flash Point: >230 °F
• PSA: 20.23000
• Density: 1.08±0.1 g/cm3 (20 ºC 760 Torr)
• LogP: 1.16020
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 132.057514874
• Heavy Atom Count: 10
• Complexity: 134

Purity/Quality:

98%, ^*data from raw suppliers

(4-Ethynylphenyl)methanol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36-42/43
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CC1=CC=C(C=C1)CO
• Uses: 4-Ethynylbenzyl alcohol can be used in the synthesis of platinum-acetylide dendrimers, rotaxanes and arylacetylenes.It was employed in the preparation of arylalkyne-tagged sugars for the photoinduced glycosylation of cysteine-containing peptides.It can also act as a precursor to synthesize fluorescent probes via Cu(I)-catalyzed azide-alkyne cycloaddition (CuAAC) click reaction.

Technology Process of 4-ETHYNYLBENZYL ALCOHOL 97

There total 22 articles about 4-ETHYNYLBENZYL ALCOHOL 97 which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

4-(hydroxymethyl)-1-(trimethylsilylethynyl)benzene (275386-60-2) → (4-ethynylphenyl)methanol (10602-04-7)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 20 ℃; for 0.5h;

DOI:10.1002/anie.200453753

Reference yield: 99.0%

4-Ethynylbenzaldehyde (63697-96-1) → (4-ethynylphenyl)methanol (10602-04-7)

Guidance literature:

With sodium tetrahydroborate; In ethanol; for 0.166667h;

DOI:10.1002/asia.201800452

Reference yield: 92.0%

1-(triisopropylsilyl)-2-[4-(hydroxymethyl)phenyl]ethyne (889361-56-2) → (4-ethynylphenyl)methanol (10602-04-7)

Guidance literature:

1-(triisopropylsilyl)-2-[4-(hydroxymethyl)phenyl]ethyne; With silver fluoride; In acetonitrile; at 20 ℃; for 3h; Darkness; Inert atmosphere;

With hydrogenchloride; water; In acetonitrile; at 20 ℃; for 0.0833333h; chemoselective reaction; Inert atmosphere;

DOI:10.1055/s-0029-1216788

upstream raw materials:

ethyl 4-ethynylbenzoate

4-Ethynylbenzaldehyde

4-(hydroxymethyl)-1-(trimethylsilylethynyl)benzene

4-[4-(hydroxymethyl)phenyl]-2-methylbut-3-yn-2-ol

Downstream raw materials:

1-(Chloromethyl)-4-ethynylbenzene

methyl 5-hydroxy-7-<4-(1-hydroxymethyl)phenyl>hept-6-ynoate

4-Ethynylbenzaldehyde

(4R)-[4-(4-aminooxymethyl-phenyl)-[1,2,3]triazol-1-yl]-tetrahydro-furan-(3S)-ol