4-(2-Hydroxyethyl)benzaldehyde

Base Information

• Chemical Name: 4-(2-Hydroxyethyl)benzaldehyde
• CAS No.: 163164-47-4
• Molecular Formula: C9H10 O2
• Molecular Weight: 150.177
• Hs Code.: 2912491000
• DSSTox Substance ID: DTXSID00593649
• Nikkaji Number: J1.628.126C
• Wikidata: Q72484038
• Mol file: 163164-47-4.mol

Synonyms:4-(2-HYDROXYETHYL)BENZALDEHYDE;163164-47-4;Benzaldehyde, 4-(2-hydroxyethyl)-;Benzaldehyde, 4-(2-hydroxyethyl)- (9CI);SCHEMBL77237;DTXSID00593649;VNVVFWYCFVNBMI-UHFFFAOYSA-N;4-(2-hydroxy-ethyl)-benzaldehyde;AMY42058;CK2095;MFCD14581597;AKOS015912348;SB83917;DS-16479;DB-064490;4-formylphenylethanol (4-formylphenethyl alcohol)

Chemical Property of 4-(2-Hydroxyethyl)benzaldehyde

Chemical Property:

• Boiling Point: 295℃
• Flash Point: 124℃
• PSA: 37.30000
• Density: 1.142
• LogP: 1.03390
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 150.068079557
• Heavy Atom Count: 11
• Complexity: 115

Purity/Quality:

97% ^*data from raw suppliers

4-(2-Hydroxyethyl)benzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCO)C=O
• Uses: 4-(2-Hydroxyethyl)benzaldehyde is used in the synthesis of thromboxane receptor antagonists and -thromboxane synthase inhibitors based on a dioxane linkage.

Technology Process of 4-(2-Hydroxyethyl)benzaldehyde

There total 9 articles about 4-(2-Hydroxyethyl)benzaldehyde 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: 91.0%

1-(hydroxymethyl)-4-(2-hydroxyethyl)benzene (4866-85-7) → 4-mono(2-hydroxyethyl)benzaldehyde (163164-47-4)

Guidance literature:

With 1-methyl-1H-imidazole; [2,2]bipyridinyl; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; tetrakis(acetonitrile)copper(I) trifluoromethanesulfonate; In acetonitrile; at 20 ℃; for 2.5h; chemoselective reaction;

DOI:10.1021/ja206230h

Reference yield: 72.4%

4-[2-(tetrahydropyran-2-yloxy)-ethyl]benzaldehyde (163164-46-3) → 4-mono(2-hydroxyethyl)benzaldehyde (163164-47-4)

Guidance literature:

With hydrogenchloride; water; In acetone; at 5 ℃; for 5h;

Reference yield:

4-Methylphenethyl alcohol (699-02-5) → 4-methylphenylacetaldehyde (104-09-6) + 4-methyl-benzaldehyde (104-87-0) + 4-mono(2-hydroxyethyl)benzaldehyde (163164-47-4)

Guidance literature:

With oxygen; In water; at 25 ℃; for 4h; chemoselective reaction; Irradiation; Green chemistry;

DOI:10.1039/c7gc01588g

upstream raw materials:

4-[2-(tetrahydropyran-2-yloxy)-ethyl]benzaldehyde

4-bromophenethanol

4-(2-(tetrahydropyran-2-yloxy)ethyl)bromobenzene

4-(2-methoxymethoxyethyl)benzaldehyde

Downstream raw materials:

4-(2-diethylamino-ethyl)-benzyl alcohol