4-Acetoxy-3-methoxybenzoic acid

Base Information

• Chemical Name: 4-Acetoxy-3-methoxybenzoic acid
• CAS No.: 10543-12-1
• Molecular Formula: C10H10O5
• Molecular Weight: 210.186
• Hs Code.: 2918990090
• European Community (EC) Number: 234-122-2
• NSC Number: 408845
• UNII: E0BUU7X0WD
• DSSTox Substance ID: DTXSID60147127
• Nikkaji Number: J226.983J
• Wikidata: Q72434356
• ChEMBL ID: CHEMBL1441900
• Mol file: 10543-12-1.mol

Synonyms:4-Acetoxy-3-methoxybenzoic acid;10543-12-1;4-(Acetyloxy)-3-methoxybenzoic acid;4-acetyloxy-3-methoxybenzoic acid;o-Acetylvanillic acid;3-Methoxy-4-acetoxybenzoic acid;Benzoic acid, 4-(acetyloxy)-3-methoxy-;4-Acetoxy-3-methoxy-benzoic acid;4-Acetoxy-meta-anisic acid;EINECS 234-122-2;E0BUU7X0WD;BRN 2121929;AI3-36785;NSC-408845;3-10-00-01407 (Beilstein Handbook Reference);O-Acetyl Vanillic Acid;UNII-E0BUU7X0WD;MLS000089910;4-ACETOXYVANILLIC ACID;SCHEMBL111732;CHEMBL1441900;DTXSID60147127;HMS2489C14;GUANIDINIUMP-TOLUENESULFONATE;4-acetoxybenzoic acid, methyl ether;MFCD00016515;NSC408845;STK503775;AKOS001650955;NSC 408845;4-CARBOXY-2-METHOXYPHENOL ACETATE;AC-18313;AS-35517;LS-35534;SMR000024528;BB 0254885;CS-0155023;EU-0009923;FT-0679200;EN300-112782;W-108785;Z928319550

Chemical Property of 4-Acetoxy-3-methoxybenzoic acid

Chemical Property:

• Vapor Pressure: 7.91E-05mmHg at 25°C
• Melting Point: 149 °C
• Refractive Index: 1.538
• Boiling Point: 327.95 °C at 760 mmHg
• PKA: 3.93±0.10(Predicted)
• Flash Point: 128.065 °C
• PSA: 72.83000
• Density: 1.285 g/cm³
• LogP: 1.31870
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 210.05282342
• Heavy Atom Count: 15
• Complexity: 250

Purity/Quality:

99% ^*data from raw suppliers

4-(Acetyloxy)-3-methoxybenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1=C(C=C(C=C1)C(=O)O)OC

Technology Process of 4-Acetoxy-3-methoxybenzoic acid

There total 24 articles about 4-Acetoxy-3-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: 90.0%

vanillin acetate (881-68-5) → 4-acetoxy-3-methoxybenzoic acid (10543-12-1)

Guidance literature:

With hydrogen bromide; oxygen; cobalt(II) acetate; manganese(II) acetate; zirconium(IV) acetate; In water; acetic acid; at 80 ℃; for 2h;

DOI:10.1002/adsc.200800614

Reference yield: 50.0%

1-(4'-Acetoxy-3'-methoxyphenyl)-3-(2,6,7-triacetoxy-4-methoxy-1-phenanthryl)-2-propen-1-on (90826-61-2) → 4-acetoxy-3-methoxybenzoic acid (10543-12-1) + 4,4',5'-Triacetoxy-6-methoxybiphenyl-2,2',3-tricarbonsaeure (90826-60-1)

Guidance literature:

With ruthenium(IV) oxide; sodium periodate; In water; ethyl acetate; for 0.166667h; Ambient temperature;

Reference yield: 35.0%

1-(4'-Acetoxy-3'-methoxyphenyl)-3-(2,6,7-triacetoxy-4-methoxy-1-phenanthryl)-2-propen-1-on (90826-61-2) → 4-acetoxy-3-methoxybenzoic acid (10543-12-1) + 3,4-Diacetoxy-benzoesaeure (58534-64-8)

Guidance literature:

With ruthenium(IV) oxide; sodium periodate; In water; ethyl acetate; for 0.166667h; Ambient temperature;

upstream raw materials:

vanillin acetate

eugenol acetate

3-(4-acetoxy-3-methoxyphenyl)prop-2-enoic acid

2-methoxy-p-tolyl acetate

Downstream raw materials:

2-Nitro-3-methoxy-4-acetoxy-benzoesaeure

3-methoxy-4-hydroxybenzoic acid

acetic acid

3,6-furan-7-(4''-hydroxy-3''-methoxyphenyl)-1-phenylheptane

Refernces

• 1、 Cui, Man-Ying,Xiao, Meng-Wu,Xu, Lv-Jie,Chen, Yun,Liu, Ai-Lin,Ye, Jiao,Hu, Ai-Xi. "Bioassay of ferulic acid derivatives as influenza neuraminidase inhibitors". . . Retrieved 2020.
• 2、 Wilsens, Carolus H. R. M.,Verhoeven, Johan M. G. A.,Noordover, Bart A. J.,Hansen, Michael Ryan,Auhl, Dietmar,Rastogi, Sanjay. "Thermotropic polyesters from 2,5-furandicarboxylic acid and vanillic acid: Synthesis, thermal properties, melt behavior, and mechanical performance". . p. 3306 - 3316. Retrieved 2014.
• 3、 Kadyrov,Nikonov. "-". . . Retrieved 1972.
• 4、 -. "COMPOUND HAVING EFFECT OF INHIBITING PLATELET AGGREGATION AND SALT THEREOF, AND COMPOSITION FOR PREVENTING OR TREATING THROMBOTIC DISEASES, CONTAINING SAME". Paragraph 0035. . Retrieved 2018/07/29.