4-Phenoxybutanal

Base Information

• Chemical Name: 4-Phenoxybutanal
• CAS No.: 19790-62-6
• Molecular Formula: C10H12O2
• Molecular Weight: 164.204
• European Community (EC) Number: 823-586-7
• DSSTox Substance ID: DTXSID10515973
• Nikkaji Number: J2.348.164B
• Wikidata: Q82377147
• Mol file: 19790-62-6.mol

Synonyms:4-Phenoxybutanal;19790-62-6;Butanal, 4-phenoxy-;SCHEMBL96854;DTXSID10515973;FT-0715686;EN300-99370;A1-06766;Z993017686

Chemical Property of 4-Phenoxybutanal

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 164.083729621
• Heavy Atom Count: 12
• Complexity: 117

Purity/Quality:

99% ，98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OCCCC=O

Technology Process of 4-Phenoxybutanal

There total 20 articles about 4-Phenoxybutanal 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: 99.0%

4-phenoxybut-2-yn-1-ol (32833-70-8) → 4-phenoxybutyraldehyde (19790-62-6)

Guidance literature:

With 20 % Pd(OH)2/C; hydrogen; In benzene; at 20 ℃; for 0.5h;

DOI:10.1055/s-0031-1291004

Reference yield: 89.0%

N-methoxy-N-methyl-formamide (32117-82-1) + (3-phenoxypropyl)triphenylphosphonium bromide (63985-67-1) → 4-phenoxybutyraldehyde (19790-62-6)

Guidance literature:

(3-phenoxypropyl)triphenylphosphonium bromide; With n-butyllithium; diisopropylamine; In tetrahydrofuran; hexane; at -20 ℃; for 1h;

N-methoxy-N-methyl-formamide; In tetrahydrofuran; hexane; at -30 - 20 ℃; for 4h;

DOI:10.1016/j.tetlet.2006.06.118

Reference yield: 88.0%

4-phenoxy-1-butene (2653-89-6) → 4-phenoxybutan-2-one (22409-85-4) + 4-phenoxybutyraldehyde (19790-62-6)

Guidance literature:

With bis(benzonitrile)palladium(II) dichloride; copper(II) choride dihydrate; oxygen; sodium nitrite; In nitromethane; tert-butyl alcohol; at 20 - 25 ℃; for 4h; under 760.051 Torr;

DOI:10.1021/ja411749k

upstream raw materials:

4-phenoxybutyronitrile

formaldehyd

2-(2-Phenoxy-ethylazo)-prop-2-yl-hydroperoxide

ethyl vinyl ether

Downstream raw materials:

4-phenoxy-butyraldehyde-semicarbazone

(pent-4-en-1-yloxy)benzene