Hexanal, 6-(benzoyloxy)-

Base Information

• Chemical Name: Hexanal, 6-(benzoyloxy)-
• CAS No.: 122934-55-8
• Molecular Formula: C13H16O3
• Molecular Weight: 220.268
• DSSTox Substance ID: DTXSID30474598
• Nikkaji Number: J1.503.153K
• Mol file: 122934-55-8.mol

Synonyms:Hexanal, 6-(benzoyloxy)-;122934-55-8;DTXSID30474598

Chemical Property of Hexanal, 6-(benzoyloxy)-

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 220.109944368
• Heavy Atom Count: 16
• Complexity: 207

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Hexanal, 6-(benzoyloxy)-

There total 12 articles about Hexanal, 6-(benzoyloxy)- 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: 94.0%

benzoic acid 6,6-bis-dodecylsulfanyl-hexyl ester + Dimethoxymethane (109-87-5) → 1-dodecylsulfanylmethylsulfanyldodecane (31336-25-1) + 5-formylpentyl benzoate (122934-55-8)

Guidance literature:

With oxalic acid; In nitromethane; at 60 ℃; for 14h;

DOI:10.1016/j.tetlet.2006.06.131

Reference yield: 90.5%

6-hydroxyhexyl benzoate (60405-63-2) → 5-formylpentyl benzoate (122934-55-8)

Guidance literature:

6-hydroxyhexyl benzoate; With 1,3,5-trichloro-2,4,6-triazine; dimethyl sulfoxide; In tetrahydrofuran; at -30 ℃; for 0.5h;

With triethylamine; In tetrahydrofuran; at -30 - 20 ℃; for 3.33h;

DOI:10.1016/j.bioorg.2021.104895

Reference yield:

6-hydroxyhexyl benzoate (60405-63-2) → 5-formylpentyl benzoate (122934-55-8) + benzoic acid (65-85-0,8013-63-6)

Guidance literature:

With 1-oxo-4-methoxy-2,2,6,6-tetramethylpiperidinium chloride; In dichloromethane; for 1h; Ambient temperature;

DOI:10.1016/S0040-4039(00)80842-4

upstream raw materials:

6-hydroxyhexyl benzoate

Dimethoxymethane

1,6-hexanediol

benzoyl chloride

Downstream raw materials:

(Z)-9-triethylsilyl-6-nonen-8-ynyl benzoate

(E)-9-triethylsilyl-6-nonen-8-ynyl benzoate

6-hydroxyhexyl benzoate