3-Methoxy-5-methylbenzoic acid

Base Information

• Chemical Name: 3-Methoxy-5-methylbenzoic acid
• CAS No.: 62089-34-3
• Molecular Formula: C9H10O3
• Molecular Weight: 166.177
• Hs Code.: 2918990090
• NSC Number: 175905
• DSSTox Substance ID: DTXSID80306370
• Wikidata: Q72490362
• Mol file: 62089-34-3.mol

Synonyms:3-Methoxy-5-methylbenzoic acid;62089-34-3;3-Methoxy-5-methyl-benzoic acid;3-Methoxy-5-methylbenzoicacid;Benzoic acid, 3-methoxy-5-methyl-;MFCD12405314;NSC175905;SCHEMBL6738707;DTXSID80306370;CL8092;AKOS005259846;AB65530;CS-W018772;FS-2229;NSC 175905;NSC-175905;3-METHOXY-5-METHYL BENZOIC ACID;AM804144;SY012262;A8587;FT-0747078;EN300-115600;W-203319

Chemical Property of 3-Methoxy-5-methylbenzoic acid

Chemical Property:

• Vapor Pressure: 0.00024mmHg at 25°C
• Melting Point: 130-131 °C
• Refractive Index: 1.54
• Boiling Point: 311.5 °C at 760 mmHg
• PKA: 4.15±0.10(Predicted)
• Flash Point: 127 °C
• PSA: 46.53000
• Density: 1.168 g/cm³
• LogP: 1.70180
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 166.062994177
• Heavy Atom Count: 12
• Complexity: 167

Purity/Quality:

98%min ^*data from raw suppliers

3-methoxy-5-methylbenzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Methoxy-5-methylbenzoic acid

There total 8 articles about 3-Methoxy-5-methylbenzoic acid 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: 86.0%

3-hydroxy-5-methylbenzoic acid (585-81-9) + methyl iodide (74-88-4) → 3-methoxy-5-methylbenzoic acid (62089-34-3)

Guidance literature:

With potassium carbonate; In acetone; for 12h; Heating;

DOI:10.1016/S0040-4039(96)02056-4

Reference yield: 78.0%

3-hydroxy-5-methylbenzoic acid (585-81-9) + dimethyl sulfate (77-78-1) → 3-methoxy-5-methylbenzoic acid (62089-34-3)

Guidance literature:

With sodium hydroxide; at 100 ℃; for 24h;

DOI:10.1021/jo00213a015

Reference yield:

Ethyl 3-Methoxy-5-methylbenzoate (126922-33-6) → 3-methoxy-5-methylbenzoic acid (62089-34-3)

Guidance literature:

With potassium hydroxide; water; In methanol; Yield given;

DOI:10.1016/S0040-4039(01)93455-0

upstream raw materials:

3-hydroxy-5-methylbenzoic acid

dimethyl sulfate

Ethyl 3-Methoxy-5-methylbenzoate

methyl iodide

Downstream raw materials:

(3-methoxy-5-methylphenyl)methanol

3-methyl-5-[4-(morpholin-4-yl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]phenol

2-(3-methoxy-5-methylphenyl)-4-(morpholin-4-yl)pyrido[3',2':4,5]furo[3,2-d]pyrimidine

2-(3-methoxy-5-methylphenyl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-4(3H)-one

Refernces

• 1、 -. "NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF PROLIFERATIVE DISORDERS". Paragraph 0553; 0554; 0670. . Retrieved 2015/03/28.
• 2、 Echavarren,Tamayo,Cardenas. "Synthesis of antibiotics WS 5995 A and C and related compounds by palladium-catalyzed coupling of 2-bromonaphthoquinones with organostannanes". . p. 6075 - 6083. Retrieved 2007/10/02.