5-Chloro-2-ethoxybenzaldehyde

Base Information

• Chemical Name: 5-Chloro-2-ethoxybenzaldehyde
• CAS No.: 27682-64-0
• Molecular Formula: C9H9 Cl O2
• Molecular Weight: 184.622
• Hs Code.: 2913000090
• NSC Number: 128961
• DSSTox Substance ID: DTXSID10299261
• Wikidata: Q82041533
• Mol file: 27682-64-0.mol

Synonyms:5-chloro-2-ethoxybenzaldehyde;27682-64-0;NSC128961;SCHEMBL1185190;5-Chloro-2-ethoxy-benzaldehyde;DTXSID10299261;JVUJRLHWDLJULI-UHFFFAOYSA-N;BBL014015;MFCD03422440;STK198932;AKOS000290643;NSC-128961;VS-04113;BB 0243283;CS-0194450;EN300-92273;N12231;Z57498102

Chemical Property of 5-Chloro-2-ethoxybenzaldehyde

Chemical Property:

• Vapor Pressure: 0.0041mmHg at 25°C
• Melting Point: 66-67 °C
• Boiling Point: 279.1°Cat760mmHg
• Flash Point: 120.6°C
• PSA: 26.30000
• Density: 1.202g/cm³
• LogP: 2.55120
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 184.0291072
• Heavy Atom Count: 12
• Complexity: 150

Purity/Quality:

98%min ^*data from raw suppliers

5-Chloro-2-ethoxybenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=C(C=C(C=C1)Cl)C=O

Technology Process of 5-Chloro-2-ethoxybenzaldehyde

There total 2 articles about 5-Chloro-2-ethoxybenzaldehyde 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%

ethyl bromide (74-96-4) + 5-chlorosalicyclaldehyde (635-93-8) → 5-chloro-2-ethoxy-benzaldehyde (27682-64-0)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 48h;

DOI:10.1021/jm4003457

Reference yield:

→ 5-chloro-2-ethoxy-benzaldehyde (27682-64-0)

Guidance literature:

aus /BRN= 47580/, 1) Hexamethylentetramin u. CH3COOH (+H2O), 3h Kochen lassen, 2) tropfen-weise konz. HCl zugeben und noch 20 min Kochen lassen;

Reference yield: 56.0%

1-[2-(benzyloxy)-6-hydroxyphenyl]ethanone (4047-24-9) + 5-chloro-2-ethoxy-benzaldehyde (27682-64-0) → 1-(2-benzyloxy-6-hydroxy-phenyl)-3-(5-chloro-2-ethoxyphenyl)propenone

Guidance literature:

With potassium hydroxide; In methanol; at 85 ℃; for 4h;

DOI:10.1016/j.bmc.2016.04.045

upstream raw materials:

ethyl bromide

5-chlorosalicyclaldehyde

Downstream raw materials:

2-(5-chloro-2-ethoxyphenyl)-2-trimethylsiloxyethanenitrile

C₁₆H₁₉ClO₅

2-(5-chloro-2-ethoxyphenyl)-3-hydroxy-4H-chromen-4-one

(E)-3-(5-chloro-2-ethoxyphenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one

Refernces

• 1、 Kralj, Ana,Nguyen, Mai-Thao,Tschammer, Nuska,Ocampo, Nicolette,Gesiotto, Quinto,Heinrich, Markus R.,Phanstiel, Otto. "Development of flavonoid-based inverse agonists of the key signaling receptor US28 of human cytomegalovirus". . p. 5019 - 5032. Retrieved 2013/07/26.