5-Chloro-2-(2-propynyloxy)benzenecarbaldehyde

Base Information

• Chemical Name: 5-Chloro-2-(2-propynyloxy)benzenecarbaldehyde
• CAS No.: 224317-64-0
• Molecular Formula: C10H7ClO2
• Molecular Weight: 194.617
• Hs Code.: 2913000090
• DSSTox Substance ID: DTXSID00377486
• Nikkaji Number: J1.084.251D
• Wikidata: Q82166721
• Mol file: 224317-64-0.mol

Synonyms:224317-64-0;5-Chloro-2-(2-propynyloxy)benzenecarbaldehyde;5-chloro-2-(prop-2-yn-1-yloxy)benzaldehyde;5-chloro-2-prop-2-ynoxybenzaldehyde;DTXSID00377486;MFCD03001306;STK198924;2-(Propargyloxy)-5-chlorobenzaldehyde;AKOS000294805;9R-0306;A910170;A1-00457;J-517284

Chemical Property of 5-Chloro-2-(2-propynyloxy)benzenecarbaldehyde

Chemical Property:

• Melting Point: 74-76°C
• PSA: 26.30000
• LogP: 2.16450
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 194.0134572
• Heavy Atom Count: 13
• Complexity: 218

Purity/Quality:

97% ^*data from raw suppliers

5-Chloro-2-(2-propynyloxy)benzenecarbaldehyde >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-Chloro-2-(2-propynyloxy)benzenecarbaldehyde

There total 2 articles about 5-Chloro-2-(2-propynyloxy)benzenecarbaldehyde 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%

propargyl bromide (106-96-7) + 5-chlorosalicyclaldehyde (635-93-8) → 5-chloro-2-(prop-2-ynyloxy)benzaldehyde (224317-64-0)

Guidance literature:

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

DOI:10.1021/acs.joc.6b01818

Reference yield: 95.0%

propargyl alcohol (107-19-7) + 5-chlorosalicyclaldehyde (635-93-8) → 5-chloro-2-(prop-2-ynyloxy)benzaldehyde (224317-64-0)

Guidance literature:

With triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran; at 20 ℃; for 24h;

DOI:10.1021/jo0001232

Reference yield: 100.0%

m-iodonitrobenzene (645-00-1) + 5-chloro-2-(prop-2-ynyloxy)benzaldehyde (224317-64-0) → 5-chloro-2-((3-(3-nitrophenyl)prop-2-yn-1-yl)oxy)benzaldehyde

Guidance literature:

With piperidine; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; In tetrahydrofuran; at 30 ℃; for 3h; Inert atmosphere;

DOI:10.1021/acs.joc.6b01818

upstream raw materials:

propargyl alcohol

5-chlorosalicyclaldehyde

propargyl bromide

Downstream raw materials:

5-chlorosalicyclaldehyde

[5-chloro-2-(prop-2-yn-1-yloxy)phenyl](N,N-dimethylamino)acetonitrile

5-chloro-2-((3-phenylprop-2-yn-1-yl)oxy)benzaldehyde

6-chloro-3-[2-(4-chloro-phenyl)-2-oxo-ethyl]-chroman-4-one