4-Formyl-2-methoxyphenyl propionate

Base Information

• Chemical Name: 4-Formyl-2-methoxyphenyl propionate
• CAS No.: 174143-90-9
• Molecular Formula: C11H12O4
• Molecular Weight: 208.214
• Hs Code.: 2915509000
• DSSTox Substance ID: DTXSID60366230
• Wikidata: Q82151361
• Mol file: 174143-90-9.mol

Synonyms:4-formyl-2-methoxyphenyl propionate;174143-90-9;4-formyl-2-methoxyphenyl propanoate;(4-formyl-2-methoxyphenyl) propanoate;SCHEMBL891572;DTXSID60366230;4-formyl-2-methoxyphenylpropionate;BBL016215;MFCD03422487;STK349175;AKOS000308776;VS-05220;CS-0217886;EN300-92251;SR-01000285969;SR-01000285969-1;Z57887694

Chemical Property of 4-Formyl-2-methoxyphenyl propionate

Chemical Property:

• PSA: 52.60000
• LogP: 1.82310
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 208.07355886
• Heavy Atom Count: 15
• Complexity: 227

Purity/Quality:

98%min ^*data from raw suppliers

4-formyl-2-methoxyphenylpropionate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Formyl-2-methoxyphenyl propionate

There total 4 articles about 4-Formyl-2-methoxyphenyl 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: 79.0%

propionyl chloride (79-03-8) + vanillin (121-33-5,8014-42-4) → propanoyl vanillin (174143-90-9)

Guidance literature:

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

DOI:10.1023/B:RUJO.0000043718.23826.ac

Reference yield: 79.0%

vanillin (121-33-5,8014-42-4) + propionic acid (802294-64-0,79-09-4) → propanoyl vanillin (174143-90-9)

Guidance literature:

propionic acid; With thionyl chloride; In benzene; for 6h; Heating;

vanillin; In benzene; for 1h; Heating;

DOI:10.1007/s11176-005-0282-2

Reference yield:

vanillin (121-33-5,8014-42-4) + propionic acid anhydride (123-62-6) → propanoyl vanillin (174143-90-9)

Guidance literature:

With potassium hydroxide; In water; at 20 - 23 ℃;

DOI:10.1007/s11167-005-0242-y

upstream raw materials:

propionyl chloride

vanillin

propionic acid

propionic acid anhydride

Downstream raw materials:

5-methyl-2-(3-methoxy-4-propionyloxyphenyl)-1H-benzimidazole

C₁₉H₂₁NO₄*ClH

C₁₉H₂₁NO₄

C₂₃H₂₁NO₃

Refernces

• 1、 -. "Flavour Improving Substances". Page/Page column 7. . Retrieved 2010/04/30.
• 2、 Kozlov,Basalaeva. "Vanillin esters in reactions with indan-1,3-dione". . p. 1223 - 1228. Retrieved 2008/09/21.