5-Formyl-2-methoxybenzoic acid

Base Information

• Chemical Name: 5-Formyl-2-methoxybenzoic acid
• CAS No.: 84923-70-6
• Molecular Formula: C9H8O4
• Molecular Weight: 180.16
• Hs Code.: 2918990090
• European Community (EC) Number: 865-672-7
• DSSTox Substance ID: DTXSID10398006
• Wikidata: Q72489915
• Mol file: 84923-70-6.mol

Synonyms:5-formyl-2-methoxybenzoic acid;84923-70-6;2-Methoxy-5-formylbenzoic acid;Benzoic acid, 5-formyl-2-methoxy-;MFCD01442588;5-Formyl-2-methoxybenzoicAcid;SCHEMBL2934800;DTXSID10398006;TTZPGMWNBQKNKX-UHFFFAOYSA-N;CS-Z0022;AKOS006243108;AM90135;AC-22886;AS-31186;SY002306;5-formyl-2-methoxybenzoic acid, AldrichCPR;FT-0690105;A23732;EN300-248463;Z57772686

Chemical Property of 5-Formyl-2-methoxybenzoic acid

Chemical Property:

• Vapor Pressure: 3.65E-06mmHg at 25°C
• Refractive Index: 1.592
• Boiling Point: 371.1 °C at 760 mmHg
• PKA: 3.74±0.10(Predicted)
• Flash Point: 154.4 °C
• PSA: 63.60000
• Density: 1.309 g/cm³
• LogP: 1.20590
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 180.04225873
• Heavy Atom Count: 13
• Complexity: 202

Purity/Quality:

97% ^*data from raw suppliers

5-Formyl-2-methoxybenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C=O)C(=O)O

Technology Process of 5-Formyl-2-methoxybenzoic acid

There total 5 articles about 5-Formyl-2-methoxybenzoic 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: 80.0%

3-bromo-4-methoxybenzylaldehyde (34841-06-0) + carbon monoxide (201230-82-2) → 5-formyl-2-methoxybenzoic acid (84923-70-6)

Guidance literature:

With dicobalt octacarbonyl; potassium carbonate; methyloxirane; In methanol; at 60 ℃; for 9h; under 760 Torr;

DOI:10.1007/s11167-005-0619-y

Reference yield: 77.0%

methyl 5-formyl-2-methoxybenzoate (78515-16-9) → 5-formyl-2-methoxybenzoic acid (84923-70-6)

Guidance literature:

With lithium hydroxide; In tetrahydrofuran; methanol; water;

Reference yield:

salicylic acid (69-72-7,25496-36-0,8052-31-1) → 5-formyl-2-methoxybenzoic acid (84923-70-6)

Guidance literature:

Multi-step reaction with 3 steps

1: water / 16 h / 100 °C

2: potassium carbonate / N,N-dimethyl-formamide / 60 °C / Sealed tube

3: potassium carbonate / ethanol; water / 20 - 55 °C

With potassium carbonate; In ethanol; water; N,N-dimethyl-formamide;

upstream raw materials:

methyl 5-formyl-2-methoxybenzoate

3-bromo-4-methoxybenzylaldehyde

carbon monoxide

methyl-5-formyl-2-hydroxybenzoate

Downstream raw materials:

[3(2R),4S]-3-[2-ethyl-3-[4-methoxy-3-[N-[[4-(trifluoromethyl)phenyl]methyl]carbamoyl]phenyl]propionyl]-4-benzyloxazolidin-2-one

2-[4-methoxy-3-(4-phenethyloxy-benzylcarbamoyl)-benzyl]-butyric acid ethyl ester

2-[4-methoxy-3-(4-phenethyl-benzylcarbamoyl)-benzyl]-butyric acid ethyl ester

2-[3-(4-benzyloxy-benzylcarbamoyl)-4-methoxy-benzyl]-butyric acid ethyl ester