4-Methoxy-3-methylbenzoic Acid

Base Information

• Chemical Name: 4-Methoxy-3-methylbenzoic Acid
• CAS No.: 6880-04-2
• Molecular Formula: C9H10 O3
• Molecular Weight: 166.177
• Hs Code.: 2918990090
• European Community (EC) Number: 674-106-6
• DSSTox Substance ID: DTXSID40374853
• Nikkaji Number: J1.555.637D
• Wikidata: Q72490355
• Mol file: 6880-04-2.mol

Synonyms:4-Methoxy-3-methylbenzoic Acid;6880-04-2;3-methyl-4-methoxybenzoic acid;4-Methoxy-3-MethylbenzoicAcid;4-Methoxy-3-methyl-benzoic acid;Benzoic acid, 4-methoxy-3-methyl-;MFCD00270114;3-Methyl-p-anisic acid;4-Methoxy-m-toluic Acid;4-Methoxy-3-toluic acid;SCHEMBL701782;4-Methxoy-3-Methylbenzoic Acid;4-me-thoxy-3-methylbenzoic acid;4-methoxy-3-methyl benzoic acid;DTXSID40374853;DNMUMZLKDOZMEY-UHFFFAOYSA-N;CS-B0787;AKOS000112124;AC-2772;AM84178;FS-1547;SY002871;4-Methoxy-3-methylbenzoic acid, AldrichCPR;BB 0238592;FT-0676037;M2728;EN300-62215;AE-562/43459660;J-515641;F0001-1793

Chemical Property of 4-Methoxy-3-methylbenzoic Acid

Chemical Property:

• Appearance/Colour: Pale yellow or cream powder
• Vapor Pressure: 0.00132mmHg at 25°C
• Melting Point: 177-181 °C(lit.)
• Boiling Point: 285.3°C at 760 mmHg
• PKA: 4.54±0.10(Predicted)
• Flash Point: 114.2°C
• PSA: 46.53000
• Density: 1.168g/cm³
• LogP: 1.70180
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.3
• 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:

99.0% ^*data from raw suppliers

4-Methoxy-3-methylbenzoic Acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Methoxy-3-methylbenzoic Acid

There total 18 articles about 4-Methoxy-3-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: 95.0%

carbon dioxide (124-38-9,18923-20-1) + 2-methyl-4-bromoanisole (14804-31-0) → 4-methoxy-3-methylbenzoic acid (6880-04-2)

Guidance literature:

2-methyl-4-bromoanisole; With magnesium; ethylene dibromide; In tetrahydrofuran; for 5h; Heating;

carbon dioxide; In tetrahydrofuran; cooling;

DOI:10.1021/ol061439k

Reference yield: 68.0%

3-methyl-4-anisaldehyde (32723-67-4) → 4-methoxy-3-methylbenzoic acid (6880-04-2)

Guidance literature:

With jones reagent; In acetone; at 25 ℃;

DOI:10.1021/ja00270a027

Reference yield:

4-methoxy-3-methylacetophenone (10024-90-5) + chlorine (7782-50-5) → tetrachloromethane (56-23-5) + 4-methoxy-3-methylbenzoic acid (6880-04-2)

Guidance literature:

DOI:10.1021/ja01359a506

upstream raw materials:

2-methyl-4-bromoanisole

3-methyl-4-anisaldehyde

4-Methoxy-3-methylbenzoesaeure-methylester

4-methoxy-3-methylbenzonitrile

Downstream raw materials:

4-methoxy-3-methylbenzoyl chloride

4-methoxyisophthalic acid

5-Chlor-4-methoxy-3-methylbenzoesaeure

4-Methoxy-3-methylbenzoesaeure-methylester

Refernces

• 1、 Li, Miaosheng,O'Doherty, George A.. "De novo asymmetric synthesis of milbemycin β3 via an iterative asymmetric hydration approach". . p. 3987 - 3990. Retrieved 2007/10/03.
• 2、 Tietze, Lutz F.,Stewart, Scott G.,Polomska, Marta E.,Modi, Andrea,Zeeck, Axel. "Towards a total synthesis of the new anticancer agent mensacarcin: Synthesis of the carbocyclic core". . p. 5233 - 5242. Retrieved 2007/10/03.