Methyl 2,4-dimethoxybenzoate

Base Information

• Chemical Name: Methyl 2,4-dimethoxybenzoate
• CAS No.: 2150-41-6
• Molecular Formula: C10H12O4
• Molecular Weight: 196.203
• Hs Code.: 29189900
• NSC Number: 49277
• DSSTox Substance ID: DTXSID10175839
• Nikkaji Number: J127.122I
• Wikidata: Q63408842
• ChEMBL ID: CHEMBL2252251
• Mol file: 2150-41-6.mol

Synonyms:Methyl 2,4-dimethoxybenzoate;2150-41-6;2,4-Dimethoxybenzoic acid methyl ester;Benzoic acid, 2,4-dimethoxy-, methyl ester;4-piperidin-4-yl-benzoicacid;SCHEMBL645462;CHEMBL2252251;DTXSID10175839;NSC49277;Methyl 2,4-dimethoxybenzoate, 98%;MFCD00070649;NSC 49277;NSC-49277;AKOS005138058;2,4-dimethoxy-benzoic acid methyl ester;AS-10501;Benzoic acid,2,4-dimethoxy-,methyl ester;CS-0187462;FT-0634070;M2226;A815424;J-014110;Q63408842;2,4-Dihydroxybenzoic acid, dimethyl ether, methyl ester

Chemical Property of Methyl 2,4-dimethoxybenzoate

Chemical Property:

• Vapor Pressure: 0.000921mmHg at 25°C
• Refractive Index: n20/D 1.548(lit.)
• Boiling Point: 303.6 °C at 760 mmHg
• Flash Point: 132.7 °C
• PSA: 44.76000
• Density: 1.119 g/cm³
• LogP: 1.49040
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 196.07355886
• Heavy Atom Count: 14
• Complexity: 193

Purity/Quality:

98%,99%, ^*data from raw suppliers

Methyl 2,4-Dimethoxybenzoate ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)C(=O)OC)OC
• Uses: Methyl 2,4-dimethoxybenzoate was used in the synthesis of 1,5-diaryl-1,3,5-pentanetriones.

Technology Process of Methyl 2,4-dimethoxybenzoate

There total 32 articles about Methyl 2,4-dimethoxybenzoate 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: 100.0%

4-hydroxysalicylic acid (89-86-1) + dimethyl sulfate (77-78-1) → methyl 2, 4-dimethoxybenzoate (2150-41-6)

Guidance literature:

With potassium carbonate;

DOI:10.1080/00397910701557655

Reference yield: 99.0%

4-hydroxysalicylic acid (89-86-1) + carbonic acid dimethyl ester (616-38-6) → methyl 2, 4-dimethoxybenzoate (2150-41-6)

Guidance literature:

With diiron nonacarbonyl; at 180 ℃; for 1h; Sealed tube;

DOI:10.1134/S1070363218010036

Reference yield: 96.0%

4-methoxymethylsalicylate (5446-02-6) + dimethyl sulfate (77-78-1) → methyl 2, 4-dimethoxybenzoate (2150-41-6)

Guidance literature:

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

DOI:10.1021/jm9501339

upstream raw materials:

4-hydroxysalicylic acid

dimethyl sulfate

4-methoxymethylsalicylate

methyl iodide

Downstream raw materials:

2,4-dimethoxybenzoylacetonitrile

8-Allyl-2-(2,4-dimethoxy-phenyl)-chromen-4-one

coumestrol

2,4,2’,4’,2”,4”-hexamethoxytriphenylcarbinol

Refernces

• 1、 Ishikawa, Takahiro,Takagi, Michiyo,Kanou, Mamiko,Kawai, Shingo,Ohashi, Hideo. "Radical-capturing reaction of 5,7,3′,4′-tetramethylquercetin with the AIBN radical initiator". . p. 173 - 177. Retrieved 2000.
• 2、 Brel, V. K.,Mikulenkova, E. A.,Mironov, V. F.,Tatarinov, D. A.,Terekhova, N. V.. "Synthesis of acyclic and cyclic phosphonates based on substituted 2-hydroxybenzylic alcohols". . p. 2147 - 2152. Retrieved 2020/12/09.
• 3、 Hayrapetyan, Davit,Rit, Raja K.,Kratz, Markus,Tschulik, Kristina,Goo?en, Lukas J.. "Electrochemical C-H cyanation of electron-rich (Hetero)arenes". supporting information. p. 11288 - 11291. Retrieved 2018/10/20.