Methyl 4-methoxy-2-methylbenzoate

Base Information

• Chemical Name: Methyl 4-methoxy-2-methylbenzoate
• CAS No.: 35598-05-1
• Molecular Formula: C10H12 O3
• Molecular Weight: 180.203
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID70532464
• Nikkaji Number: J937.617H
• Wikidata: Q72492618
• Mol file: 35598-05-1.mol

Synonyms:Methyl 4-methoxy-2-methylbenzoate;35598-05-1;4-METHOXY-2-METHYL-BENZOIC ACID METHYL ESTER;Benzoic acid, 4-methoxy-2-methyl-, methyl ester;Methyl4-methoxy-2-methylbenzoate;4-Methoxy-2-methylbenzoic Acid Methyl Ester;Methyl 2-Methyl-p-anisate;SCHEMBL1179412;DTXSID70532464;OGYAVWKYDVBIMW-UHFFFAOYSA-N;MFCD06203918;2-Methyl-p-anisic Acid Methyl Ester;4-Methoxy-o-toluic Acid Methyl Ester;AKOS000297765;methyl 2-methyl-4-(methyloxy)benzoate;SB36804;TS-02519;CS-0043197;M2889;2-methyl-4-methoxy-benzoic acid methyl ester;4-Methyloxy-2-methylbenzoic acid methyl ester;A874578;J-522367

Chemical Property of Methyl 4-methoxy-2-methylbenzoate

Chemical Property:

• Refractive Index: 1.5360 to 1.5400
• Boiling Point: 98°C/0.5mmHg(lit.)
• PSA: 35.53000
• Density: 1.075±0.06 g/cm3(Predicted)
• LogP: 1.79020
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 180.078644241
• Heavy Atom Count: 13
• Complexity: 179

Purity/Quality:

99.00% ^*data from raw suppliers

Methyl 4-Methoxy-2-methylbenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)OC)C(=O)OC

Technology Process of Methyl 4-methoxy-2-methylbenzoate

There total 23 articles about Methyl 4-methoxy-2-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: 100.0%

methanol (67-56-1) + 4-methoxy-2-methylbenzoic acid (6245-57-4) → methyl 4-methoxy-2-methylbenzoate (35598-05-1)

Guidance literature:

With thionyl chloride; at 20 ℃; Reflux;

Reference yield: 97.0%

4-hydroxy-2-methylbenzoic acid methyl ester (57556-31-7) + methyl iodide (74-88-4) → methyl 4-methoxy-2-methylbenzoate (35598-05-1)

Guidance literature:

With potassium carbonate; In acetone; for 19h; Heating;

DOI:10.1016/S0040-4020(01)89106-7

Reference yield: 72.0%

methanol (67-56-1) + 4-methoxysalicylaldehyde (52289-54-0) → methyl 4-methoxy-2-methylbenzoate (35598-05-1)

Guidance literature:

With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); In tetrachloromethane; for 0.5h; Heating; Irradiation;

DOI:10.1055/s-1984-30883

upstream raw materials:

4-hydroxy-2-methylbenzoic acid

dimethyl sulfate

methanol

4-methoxy-2-methylbenzoic acid

Downstream raw materials:

2-{[bis(pyridine-2-ylmethyl)-amino]methyl}-4-methoxy benzoic acid

2-[(bis-pyridin-2-ylmethylamino)methyl]-4-methoxybenzoic acid methyl ester

3-[(2-aminophenyl)amino]-8-(2-morpholin-4-ylethoxy)-dibenzo[b,e]oxepin-11(6H)-one

3-[(2,4-difluorophenyl)amino]-8-(2-morpholin-4-ylethoxy)-dibenzo[b,e]oxepin-11(6H)-one

Refernces

• 1、 Shishido KJ.,Yamashita,Hiroya,Fukumoto,Kametani. "An efficient synthesis of the naphthalene moiety of neocarzinostatin chromophore". . p. 111 - 112. Retrieved 1989.
• 2、 D'Hollander, Agathe C.A.,Westwood, Nicholas J.. "Assessment of the regioselectivity in the condensation reaction of unsymmetrical o-phthaldialdehydes with alanine". supporting information. p. 224 - 239. Retrieved 2017/12/08.
• 3、 Baur, Benjamin,Storch, Kirsten,Martz, Kathrin E.,Goettert, Marcia I.,Richters, André,Rauh, Daniel,Laufer, Stefan A.. "Metabolically stable dibenzo[ b, e ]oxepin-11(6 H)-ones as highly selective p38 MAP kinase inhibitors: Optimizing anti-cytokine activity in human whole blood". supporting information. p. 8561 - 8578. Retrieved 2013/12/04.