5-Ethyl-2-hydroxybenzaldehyde

Base Information

• Chemical Name: 5-Ethyl-2-hydroxybenzaldehyde
• CAS No.: 52411-35-5
• Molecular Formula: C9H10O2
• Molecular Weight: 150.177
• Hs Code.: 2912499000
• European Community (EC) Number: 864-821-3
• DSSTox Substance ID: DTXSID20423939
• Nikkaji Number: J2.724.761J
• Wikidata: Q82236290
• ChEMBL ID: CHEMBL2289229
• Mol file: 52411-35-5.mol

Synonyms:5-ethyl-2-hydroxybenzaldehyde;52411-35-5;5-ethyl-2-hydroxybenzenecarbaldehyde;5-Ethyl-2-hydroxy-benzaldehyde;Benzaldehyde, 2-hydroxy, 5-ethyl;5-Aethylsalicylaldehyd;5-ethyl-salicylaldehyde;2-Hydroxy-5-ethylbenzaldehyde;SCHEMBL305074;CHEMBL2289229;DTXSID20423939;5-Ethyl-2-hydroxy-phenyl-methanone;MFCD06739514;AKOS002683594;BA-0829;CS-0196267;FT-0600731;E90014;EN300-200845;5-ethyl-2-hydroxybenzenecarbaldehyde, AldrichCPR;A829064;W-202970;Z979493236

Chemical Property of 5-Ethyl-2-hydroxybenzaldehyde

Chemical Property:

• Vapor Pressure: 0.028mmHg at 25°C
• Refractive Index: 1.586
• Boiling Point: 238.1 °C at 760 mmHg
• Flash Point: 97.2 °C
• PSA: 37.30000
• Density: 1.134 g/cm³
• LogP: 1.76710
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 150.068079557
• Heavy Atom Count: 11
• Complexity: 134

Purity/Quality:

99%, ^*data from raw suppliers

5-Ethyl-2-hydroxybenzenecarbaldehyde >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22-36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC(=C(C=C1)O)C=O
• Use Description: 5-Ethyl-2-hydroxy-benzaldehyde, a chemical compound, has diverse applications in various fields. In the field of organic synthesis and pharmaceuticals, it can serve as a valuable building block and intermediate for the synthesis of organic molecules and pharmaceutical agents, potentially contributing to the development of new drugs or active pharmaceutical ingredients. Its role is pivotal in drug discovery and development, aiding in the creation of medications that address a variety of medical conditions. Additionally, in the fragrance and flavor industry, this compound is used as a key ingredient for its aromatic and flavor-enhancing properties, contributing to the formulation of perfumes, cosmetics, and food products with unique scents and tastes. Furthermore, in academic and industrial laboratories, it may serve as a reference compound for the study of aldehydes and their reactivity, facilitating research in organic chemistry and analytical chemistry. Its multifaceted utility underscores its significance in pharmaceuticals, fragrance, flavoring, and chemical research, where it plays a crucial role in drug innovation, sensory enhancement, and scientific investigation.

Technology Process of 5-Ethyl-2-hydroxybenzaldehyde

There total 4 articles about 5-Ethyl-2-hydroxybenzaldehyde 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: 96.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 4-Ethylphenol (123-07-9) → 5-ethyl-2-hydroxybenzaldehyde (52411-35-5)

Guidance literature:

With (C₄H₉)3N; tin(IV) chloride; In toluene; at 100 ℃;

Reference yield: 83.6%

→ 5-ethyl-2-hydroxybenzaldehyde (52411-35-5)

Guidance literature:

With triethylamine; magnesium chloride; In acetonitrile; at 15 - 30 ℃; for 0.25h;

In acetonitrile; for 3h; Reflux;

Reference yield: 36.0%

4-Ethylphenol (123-07-9) + chloroform (67-66-3,8013-54-5) → 5-ethyl-2-hydroxybenzaldehyde (52411-35-5)

Guidance literature:

With sodium hydroxide; for 2h; Reflux;

DOI:10.1007/s00044-015-1490-x

upstream raw materials:

4-Ethylphenol

chloroform

formaldehyd

Downstream raw materials:

2-hydroxymethyl-4-ethylphenol

2-amino-6-ethyl-4-(5-hydroxy-3-methyl-1H-pyrazol-4-yl)-4H-chromene-3-carbonitrile

C₂₄H₂₄N₂O₂

(2-formyl-4-ethylphenoxy)acetaldehyde diethyl acetal

Refernces

• 1、 Boukharsa, Youness,Lakhlili, Wiame,El harti, Jaouad,Meddah, Bouchra,Tiendrebeogo, Ramata Yvette,Taoufik, Jamal,El Abbes Faouzi, My,Ibrahimi, Azeddine,Ansar, M'hammed. "Synthesis, anti-inflammatory evaluation in vivo and docking studies of some new 5-(benzo[b]furan-2-ylmethyl)-6-methyl-pyridazin-3(2H)-one derivatives". . p. 119 - 127. Retrieved 2017/10/13.
• 2、 Mauger, Audrey,Farjon, Jonathan,Nun, Pierrick,Coeffard, Vincent. "One-Pot Synthesis of Functionalized Fused Furans via a BODIPY-Catalyzed Domino Photooxygenation". supporting information. p. 4790 - 4793. Retrieved 2018/03/21.