Ethyl 2,4-dimethoxy-6-methylbenzoate

Base Information

• Chemical Name: Ethyl 2,4-dimethoxy-6-methylbenzoate
• CAS No.: 57749-86-7
• Molecular Formula: C12H16O4
• Molecular Weight: 224.257
• European Community (EC) Number: 661-387-5
• DSSTox Substance ID: DTXSID40402145
• Wikidata: Q82205518
• Mol file: 57749-86-7.mol

Synonyms:ethyl 2,4-dimethoxy-6-methylbenzoate;57749-86-7;2,4-Dimethoxy-6-methyl-benzoic acid ethyl ester;Benzoic acid, 2,4-dimethoxy-6-methyl-, ethyl ester;2,4-Dimethoxy-6-methylbenzoic acid ethyl ester;Ethyl 2,4-dimethoxy-6-methyl-benzoate;SCHEMBL4106403;DTXSID40402145;LOYWUZHRCDPRSJ-UHFFFAOYSA-N;MFCD00185439;AKOS024325284;F70779

Chemical Property of Ethyl 2,4-dimethoxy-6-methylbenzoate

Chemical Property:

• PSA: 44.76000
• LogP: 2.18890
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 224.10485899
• Heavy Atom Count: 16
• Complexity: 229

Purity/Quality:

99% ^*data from raw suppliers

2,4-DIMETHOXY-6-METHYL-BENZOIC ACID ETHYL ESTER Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(C=C(C=C1C)OC)OC

Technology Process of Ethyl 2,4-dimethoxy-6-methylbenzoate

There total 18 articles about Ethyl 2,4-dimethoxy-6-methylbenzoate 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: 99.0%

2,4-dimethoxy-6-methylbenzoic acid (3686-57-5) + ethyl iodide (75-03-6) → ethyl 2,4-dimethoxy-6-methylbenzoate (57749-86-7)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetonitrile; at 20 ℃;

DOI:10.1021/jo051384k

Reference yield: 98.0%

ethyl orselinate (2524-37-0) + dimethyl sulfate (77-78-1) → ethyl 2,4-dimethoxy-6-methylbenzoate (57749-86-7)

Guidance literature:

With potassium carbonate; In acetone; Heating;

DOI:10.1080/00397919208021540

Reference yield: 95.0%

ethyl orselinate (2524-37-0) + methyl iodide (74-88-4) → ethyl 2,4-dimethoxy-6-methylbenzoate (57749-86-7)

Guidance literature:

With potassium carbonate; In acetone; for 24h; Reflux;

DOI:10.1016/j.cclet.2014.03.027

upstream raw materials:

n-butyllithium

ethyl 2,4-dimethoxy-6-trimethylsilylmethylbenzoate

ethanol

2,4-dimethoxy-6-methylbenzoyl chloride

Downstream raw materials:

benzyl 2,4-dihydroxy-6-pentadecanylbenzoate

2,4-bis(benzyloxy)-6-pentadecanylbenzoic acid

2,4-bis-benzyloxy-6-pentadecyl-benzoic acid ethyl ester

4'-(2,4-dihydroxy-6-pentadecanylbenzoyloxy)-2'-hydroxy-6'-methylbenzoic acid

Refernces

• 1、 Chen, Wen-Zhang,Fan, Ling-Ling,Xiao, Hai-Tao,Zhou, Ying,Xiao, Wan,Wang, Jian-Ta,Tang, Lei. "First total synthesis of natural products cajanolactone A and cajanonic acid A". . p. 749 - 751. Retrieved 2014/06/09.
• 2、 -. "COMPOUNDS AND COMPOSITIONS USEFUL IN THE TREATMENT OF NEOPLASIA". Page/Page column 49; 60-61. . Retrieved 2008/06/13.