4-(Prop-2-yn-1-yloxy)benzaldehyde

Base Information

• Chemical Name: 4-(Prop-2-yn-1-yloxy)benzaldehyde
• CAS No.: 5651-86-5
• Molecular Formula: C10H8O2
• Molecular Weight: 160.172
• Hs Code.: 2912499000
• European Community (EC) Number: 811-842-0
• DSSTox Substance ID: DTXSID50365494
• Nikkaji Number: J1.119.733G
• Wikidata: Q82150218
• Mol file: 5651-86-5.mol

Synonyms:4-(prop-2-yn-1-yloxy)benzaldehyde;5651-86-5;4-prop-2-ynoxybenzaldehyde;4-(PROP-2-YNYLOXY)BENZALDEHYDE;4-(Propargyloxy)benzaldehyde;4-(2-Propynyloxy)benzaldehyde;4-Prop-2-ynyloxy-benzaldehyde;4-(2-Propynyloxy)benzenecarbaldehyde;4-(2-Propyn-1-yloxy)benzaldehyde;Benzaldehyde, 4-(2-propynyloxy)-;SCHEMBL825205;4-Prop-2-ynyloxy benzaldehyde;4-(2-propynyloxy) benzaldehyde;DTXSID50365494;Ald3-H_000014;GSSBOYWRKTVVQX-UHFFFAOYSA-N;Ald3.1-H_000234;Ald3.1-H_000553;Ald3.1-H_000872;MFCD01088150;NSC797178;STK198762;AKOS000172914;NSC-797178;4-[(Prop-2-yn-1-yl)oxy]benzaldehyde;4-(prop-2-ynyloxy)benzaldehyde, AldrichCPR;BB 0217671;CS-0116523;FT-0677796;P2339;EN300-56436;3X-0336;A869921;J-513830;Z54475573;2375933-31-4

Chemical Property of 4-(Prop-2-yn-1-yloxy)benzaldehyde

Chemical Property:

• Vapor Pressure: 0.00175mmHg at 25°C
• Melting Point: 85-86°C
• Refractive Index: 1.573
• Boiling Point: 293.2°Cat760mmHg
• Flash Point: 137.4°C
• PSA: 26.30000
• Density: 1.128g/cm³
• LogP: 1.51110
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 160.052429494
• Heavy Atom Count: 12
• Complexity: 181

Purity/Quality:

97% ^*data from raw suppliers

4-(Prop-2-yn-1-yloxy)benzaldehyde ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-(Prop-2-yn-1-yloxy)benzaldehyde

There total 13 articles about 4-(Prop-2-yn-1-yloxy)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: 100.0%

4-hydroxy-benzaldehyde (123-08-0,65581-83-1) + propargyl bromide (106-96-7) → 4-(prop-2-ynyloxy)benzaldehyde (5651-86-5)

Guidance literature:

With potassium carbonate; In acetone; for 4h; Reflux;

DOI:10.1016/j.tetlet.2009.07.101

Reference yield: 94.0%

dipropargyl ether (6921-27-3) + 4-hydroxy-benzaldehyde (123-08-0,65581-83-1) → 4-(prop-2-ynyloxy)benzaldehyde (5651-86-5)

Guidance literature:

With potassium carbonate; In acetone; toluene; at 20 ℃;

DOI:10.1021/acs.orglett.9b03999

Reference yield: 92.0%

[4-(prop-2-yn-1-yloxy)phenyl]methanol (34905-02-7) → 4-(prop-2-ynyloxy)benzaldehyde (5651-86-5)

Guidance literature:

With ferric(III) bromide; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; α,α,α-trifluorotoluene; oxygen; 2-Aminoisobutyric acid; for 12h; Reflux; Green chemistry;

upstream raw materials:

4-hydroxy-benzaldehyde

propargyl bromide

4-Propargyloxyphenylaldoxime

potassium carbonate

Downstream raw materials:

(4-Phenoxy-phenyl)-[1-(4-prop-2-ynyloxy-phenyl)-meth-(Z)-ylidene]-amine

(E)-1-Morpholin-4-yl-4-(4-prop-2-ynyloxy-phenyl)-but-3-en-2-one

2H-chromene-6-carbaldehyde

2-methylbenzofuran-5-carbaldehyde