4-Methoxyphthalic acid

Base Information

• Chemical Name: 4-Methoxyphthalic acid
• CAS No.: 1885-13-8
• Molecular Formula: C9H8O5
• Molecular Weight: 196.16
• Hs Code.: 29189900
• European Community (EC) Number: 217-546-2
• DSSTox Substance ID: DTXSID90172200
• Nikkaji Number: J199.706H
• Wikidata: Q72518051
• Mol file: 1885-13-8.mol

Synonyms:4-Methoxyphthalic acid;1885-13-8;4-Methoxyphthalicacid;1,2-Benzenedicarboxylic acid, 4-methoxy-;4-methoxybenzene-1,2-dicarboxylic acid;MFCD00094739;EINECS 217-546-2;4-Methoxy-phthalic acid;SCHEMBL383820;DTXSID90172200;AKOS000276865;AM83154;CS-W008989;SY053080;TS-00303;A4163;FT-0633893;M1432;EN300-50209;J-515672;Z600412508

Chemical Property of 4-Methoxyphthalic acid

Chemical Property:

• Appearance/Colour: White Solid
• Vapor Pressure: 6.46E-07mmHg at 25°C
• Melting Point: 173-175 °C(lit.)
• Refractive Index: 1.59
• Boiling Point: 394.036 °C at 760 mmHg
• PKA: 3.13±0.10(Predicted)
• Flash Point: 162.894 °C
• PSA: 83.83000
• Density: 1.416 g/cm³
• LogP: 1.09160
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: almost transparency in Methanol
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 196.03717335
• Heavy Atom Count: 14
• Complexity: 237

Purity/Quality:

98% ^*data from raw suppliers

4-Methoxyphthalic Acid ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Methoxyphthalic acid

There total 50 articles about 4-Methoxyphthalic 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%

methanol (67-56-1) + 4-bromophthalic anhydride (86-90-8) + sodium methylate (124-41-4) → 4-methoxyphthalic acid (1885-13-8)

Guidance literature:

With Methyl formate; copper(l) chloride; at 120 ℃; for 8h; Sealed tube; Inert atmosphere;

Reference yield: 90.0%

4-bromophthalic anhydride (86-90-8) + sodium methylate (124-41-4) → 4-methoxyphthalic acid (1885-13-8)

Guidance literature:

With Methyl formate; copper(l) chloride; In methanol; at 150 ℃; for 16h; Inert atmosphere;

DOI:10.1021/acs.jnatprod.8b00227

Reference yield: 80.0%

carbon monoxide (201230-82-2) + 3-Methoxybenzoic acid (586-38-9) → 4-methoxyphthalic acid (1885-13-8)

Guidance literature:

With sodium acetate; palladium diacetate; silver carbonate; In 1,4-dioxane; at 130 ℃; for 18h; under 760.051 Torr;

DOI:10.1021/ja8063827

upstream raw materials:

6-methoxyphthalide

3,4-dimethylanisole

5-methoxyindane

Chlortetracycline

Downstream raw materials:

4-methoxyphthalimide

lobaric acid

lobarin

6-methoxy-2-methylisoindolin-5-amine

Refernces

• 1、 Zhang, Shou-Hua,Wang, Chun-Ye,Jiang, Zhen-Zhou,Ni, Pei-Zhou,Zhou, Jin-Pei,Xi, Bao-Min,Chen, Wen-Hua. "Synthesis and blocking activities of isoindolinone- and isobenzofuranone-containing phenoxylalkylamines as potent α1- adrenoceptor antagonists". . p. 96 - 99. Retrieved 2011.
• 2、 -. "METHOD FOR SYNTHESIS OF LOBARIC ACID AND ANALOG THEREOF". Paragraph 0074; 0076-0079. . Retrieved 2021/08/13.
• 3、 Kim, Tai Kyoung,Kim, Joung Eun,Youn, Ui Joung,Han, Se Jong,Kim, Il-Chan,Cho, Cheon-Gyu,Yim, Joung Han. "Total Syntheses of Lobaric Acid and Its Derivatives from the Antarctic Lichen Stereocaulon alpinum". . p. 1460 - 1467. Retrieved 2018/06/29.