Pentanal, 5-[(4-methoxyphenyl)methoxy]-

Base Information

• Chemical Name: Pentanal, 5-[(4-methoxyphenyl)methoxy]-
• CAS No.: 131375-69-4
• Molecular Formula: C13H18O3
• Molecular Weight: 222.284
• DSSTox Substance ID: DTXSID70444750
• Nikkaji Number: J1.780.098A
• Wikidata: Q82263000
• Mol file: 131375-69-4.mol

Synonyms:Pentanal, 5-[(4-methoxyphenyl)methoxy]-;131375-69-4;5-(4-Methoxybenzyloxy)pentanal;DTXSID70444750

Chemical Property of Pentanal, 5-[(4-methoxyphenyl)methoxy]-

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 222.125594432
• Heavy Atom Count: 16
• Complexity: 174

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)COCCCCC=O

Technology Process of Pentanal, 5-[(4-methoxyphenyl)methoxy]-

There total 21 articles about Pentanal, 5-[(4-methoxyphenyl)methoxy]- 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%

5-(4-methoxybenzyloxy)-1-pentanol (131375-63-8) → 5-((4-methoxybenzyl)oxy)pentanal (131375-69-4)

Guidance literature:

With oxalyl dichloride; dimethyl sulfoxide; triethylamine; In dichloromethane; at -78 - 22 ℃;

DOI:10.1021/ol051415y

Reference yield: 92.0%

5-(4-methoxyphenyl)methoxy-2-pentyn-1-ol (146916-76-9) → 5-((4-methoxybenzyl)oxy)pentanal (131375-69-4)

Guidance literature:

With 20 % Pd(OH)2/C; hydrogen; In benzene; at 20 ℃; for 1h;

DOI:10.1055/s-0031-1291004

Reference yield: 92.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 1-(4-methoxybenzyloxy)-3-butene (142860-83-1) → 5-((4-methoxybenzyl)oxy)pentanal (131375-69-4)

Guidance literature:

With chloro(1,5-cyclooctadiene)rhodium(I) dimer; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In water; toluene; at 90 ℃; for 0.5h; Microwave irradiation; Sealed vial;

DOI:10.1055/s-0030-1259281

upstream raw materials:

5-(4-methoxybenzyloxy)-1-pentanol

1 ,5-pentanediol

p-methoxybenzyl chloride

O-(4-methoxybenzyl)-trichloroacetimidate

Downstream raw materials:

(E)-1-(6-iodohex-5-en-1-yloxy)methyl-4-methoxybenzene

(2S,3R)-3-[4-(4-methoxyphenylmethoxy)butyl]oxirane-2-carboxaldehyde

(2R,3R)-3-[4-(4-methoxyphenylmethoxy)butyl]oxirane-2-methanol

(3R,4R)-(+)-2E-2-[(2R,3R)-2,3-epoxy-7-oxohept-1-enyl]-4-[(1,1-dimethylethyl)diphenylsilyloxy]-3-(2Z-octenyl)-cyclopentanone