4-Methoxy-2,5-dimethylbenzoic acid

Base Information

• Chemical Name: 4-Methoxy-2,5-dimethylbenzoic acid
• CAS No.: 58106-26-6
• Molecular Formula: C10H12O3
• Molecular Weight: 180.203
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID60372871
• Wikidata: Q82160814
• Mol file: 58106-26-6.mol

Synonyms:4-methoxy-2,5-dimethylbenzoic acid;58106-26-6;2,5-Dimethyl-4-methoxybenzoic acid;4-methyoxy-2,5-dimethylbenzoic acid;SCHEMBL2139729;DTXSID60372871;WXUIXMXEFZKIBM-UHFFFAOYSA-N;4-methoxy-2,5-dimethylbenzoicacid;MFCD01194285;AKOS004907090;AS-40443;CS-0179879;FT-0682162

Chemical Property of 4-Methoxy-2,5-dimethylbenzoic acid

Chemical Property:

• PSA: 46.53000
• LogP: 2.01020
• Storage Temp.: 2-8°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 180.078644241
• Heavy Atom Count: 13
• Complexity: 191

Purity/Quality:

97% ^*data from raw suppliers

4-Methoxy-2,5-dimethylbenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1OC)C)C(=O)O

Technology Process of 4-Methoxy-2,5-dimethylbenzoic acid

There total 10 articles about 4-Methoxy-2,5-dimethylbenzoic 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:

chloroform (67-66-3,8013-54-5) + 4-methoxy-2.5-dimethyl-trans-cinnamic acid methyl ester + ozone (10028-15-6) → 2,5-dimethyl-4-methoxyphenol (4962-28-1) + 2,5-dimethyl-p-anisaldehyde (6745-75-1) + 4-methoxy-2,5-dimethylbenzoic acid (58106-26-6)

Guidance literature:

Erhitzen des Reaktionsprodukts mit Wasser, Zink und wenig Silbernitrat;

Reference yield:

2,5-dimethyl-p-anisaldehyde (6745-75-1) → 4-methoxy-2,5-dimethylbenzoic acid (58106-26-6)

Guidance literature:

With permanganate(VII) ion; acetone;

DOI:10.1007/BF02987845

Reference yield:

4-methoxy-3-methylbenzoic acid (6880-04-2) + potassium trifluoro(methyl)boranuide → 4-methoxy-2,5-dimethylbenzoic acid (58106-26-6)

Guidance literature:

With Boc-Phe-OH; palladium diacetate; lithium carbonate; silver carbonate; p-benzoquinone; In tert-butyl alcohol; at 90 ℃; for 12h; Reagent/catalyst; Inert atmosphere;

DOI:10.1002/anie.201303838

upstream raw materials:

2,5-dimethyl-p-anisaldehyde

acetone

chloroform

ozone

Downstream raw materials:

methyl 4-hydroxy-2,5-dimethylbenzoate

4-hydroxy-2,5-dimethyl-benzoic acid