Methyl 3-(2-formylphenyl)propionate

Base Information

• Chemical Name: Methyl 3-(2-formylphenyl)propionate
• CAS No.: 63969-79-9
• Molecular Formula: C11H12O3
• Molecular Weight: 192.21100
• DSSTox Substance ID: DTXSID30482017
• Wikidata: Q82317866
• Mol file: 63969-79-9.mol

Synonyms:Methyl 3-(2-formylphenyl)propionate;63969-79-9;SCHEMBL6517024;DTXSID30482017;JWECQVRJUPESPW-UHFFFAOYSA-N

Chemical Property of Methyl 3-(2-formylphenyl)propionate

Chemical Property:

• PSA: 43.37000
• LogP: 1.60470
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 192.078644241
• Heavy Atom Count: 14
• Complexity: 201

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CCC1=CC=CC=C1C=O

Technology Process of Methyl 3-(2-formylphenyl)propionate

There total 7 articles about Methyl 3-(2-formylphenyl)propionate 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: 64.0%

3-(2-Hydroxymethyl-phenyl)-propionic acid methyl ester (63969-88-0) → 2-(3'-oxy-3'-methoxypropyl)benzaldehyde (63969-79-9)

Guidance literature:

With manganese(IV) oxide; In dichloromethane; at 25 ℃; for 18h;

DOI:10.1016/S0968-0896(97)00090-4

Reference yield: 53.0%

→ 2-(3'-oxy-3'-methoxypropyl)benzaldehyde (63969-79-9)

Guidance literature:

Reference yield: 20.0%

acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) + benzyl alcohol (100-51-6,185532-71-2) → C11H12O3 + 2-(3'-oxy-3'-methoxypropyl)benzaldehyde (63969-79-9)

Guidance literature:

With silver hexafluoroantimonate; [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂; copper(II) acetate monohydrate; In 1,2-dichloro-ethane; at 80 ℃; for 24h; Inert atmosphere; Sealed tube;

DOI:10.1021/acs.orglett.1c02040

upstream raw materials:

3-methoxy-1,2-dihydronaphthalene

3-(2-Hydroxymethyl-phenyl)-propionic acid methyl ester

dimethylsulfide

1,2,3,4-tetrahydronaphthalen-2-one

Downstream raw materials:

3-(2-ethenylphenyl)propionaldehyde

3-(2-ethenylphenyl)propan-1-ol

methyl-3-[2-(5-hydroxy-1E,3E-tridecadienyl)phenyl]propanoate

methyl-3-[2-(3-hydroxy-1E,5Z-undecadienyl)phenyl]propanoate