4-Methoxy-3-(methoxymethyl)benzoic acid

Base Information

• Chemical Name: 4-Methoxy-3-(methoxymethyl)benzoic acid
• CAS No.: 91061-77-7
• Molecular Formula: C10H12 O4
• Molecular Weight: 196.2
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID90396368
• Wikidata: Q82197042
• Mol file: 91061-77-7.mol

Synonyms:4-methoxy-3-(methoxymethyl)benzoic acid;91061-77-7;DTXSID90396368;MFCD02856325;STK503204;AKOS002657202;4-methoxy-3-(methoxymethyl)benzoicacid;LS-01698;BB 0243413;CS-0195569;FT-0679023;E89656;4-methoxy-3-(methoxymethyl)benzoic acid, AldrichCPR

Chemical Property of 4-Methoxy-3-(methoxymethyl)benzoic acid

Chemical Property:

• Vapor Pressure: 0.000312mmHg at 25°C
• Refractive Index: 1.531
• Boiling Point: 307.6°C at 760 mmHg
• Flash Point: 118.8°C
• PSA: 55.76000
• Density: 1.188g/cm³
• LogP: 1.53980
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 196.07355886
• Heavy Atom Count: 14
• Complexity: 193

Purity/Quality:

97% ^*data from raw suppliers

4-methoxy-3-(methoxymethyl)benzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COCC1=C(C=CC(=C1)C(=O)O)OC

Technology Process of 4-Methoxy-3-(methoxymethyl)benzoic acid

There total 3 articles about 4-Methoxy-3-(methoxymethyl)benzoic 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:

3-methoxy-2-hydroxymethylbenzoate, sodium salt (755014-19-8) + methyl iodide (74-88-4) → 4-methoxy-3-methoxymethyl-benzoic acid (91061-77-7)

Guidance literature:

3-methoxy-2-hydroxymethylbenzoate, sodium salt; methyl iodide; In N,N-dimethyl-formamide; at 20 ℃;

With hydrogenchloride; In water; pH=2;

Reference yield:

3-(chloromethyl)-4-methoxybenzaldehyde (52577-09-0) + sodium methylate (124-41-4) → 4-methoxy-3-methoxymethyl-benzoic acid (91061-77-7)

Guidance literature:

anschliessendes Behandeln mit H₂O₂ in wss. NaOH unter Zusatz von CoSO₄;

Reference yield:

→ 4-methoxy-3-methoxymethyl-benzoic acid (91061-77-7)

Guidance literature:

entspr. Ester (IV), KOH;

upstream raw materials:

3-(chloromethyl)-4-methoxybenzaldehyde

sodium methylate

3-methoxy-2-hydroxymethylbenzoate, sodium salt

methyl iodide