Tridecanoic acid, 4-formyl-2-methoxyphenyl ester

Base Information

• Chemical Name: Tridecanoic acid, 4-formyl-2-methoxyphenyl ester
• CAS No.: 765298-71-3
• Molecular Formula: C21H32O4
• Molecular Weight: 348.483
• DSSTox Substance ID: DTXSID10477623
• Wikidata: Q82310425

Synonyms:Tridecanoic acid, 4-formyl-2-methoxyphenyl ester;765298-71-3;DTXSID10477623

Chemical Property of Tridecanoic acid, 4-formyl-2-methoxyphenyl ester

Chemical Property:

• XLogP3: 6.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 15
• Exact Mass: 348.23005950
• Heavy Atom Count: 25
• Complexity: 356

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCC(=O)OC1=C(C=C(C=C1)C=O)OC

Technology Process of Tridecanoic acid, 4-formyl-2-methoxyphenyl ester

There total 2 articles about Tridecanoic acid, 4-formyl-2-methoxyphenyl ester 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: 75.0%

n-tridecanoyl chloride (17746-06-4) + vanillin (121-33-5,8014-42-4) → tridecanoic acid 4-formyl-2-methoxy-phenyl ester (765298-71-3)

Guidance literature:

With pyridine; In dichloromethane; for 1h; Heating;

DOI:10.1023/B:RUJO.0000043718.23826.ac DOI:10.1023/B:CONC.0000025473.93772.9e DOI:10.1007/s11167-005-0242-y

Reference yield:

tridecanoic acid (638-53-9) → tridecanoic acid 4-formyl-2-methoxy-phenyl ester (765298-71-3)

Guidance literature:

Multi-step reaction with 2 steps

1: thionyl chloride / benzene / Heating

2: 75 percent / pyridine / CH₂Cl₂ / 1 h / Heating

With pyridine; thionyl chloride; In dichloromethane; benzene;

DOI:10.1007/s11167-005-0242-y

Reference yield: 92.0%

1-amino-naphthalene (134-32-7) + tridecanoic acid 4-formyl-2-methoxy-phenyl ester (765298-71-3) → 2-methoxy-4-(1-naphthyliminomethyl)phenyltridecanoate

Guidance literature:

In ethanol; at 20 - 23 ℃;

DOI:10.1134/S1070428006030055

upstream raw materials:

n-tridecanoyl chloride

vanillin

tridecanoic acid

Downstream raw materials:

C₂₄H₃₈O₅

C₂₉H₄₁NO₄

C₂₉H₄₁NO₄*ClH

4-(1,3-dioxan-2-yl)-2-methoxyphenyl tridecanoate

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