2-(Carboxymethyl)-4,5-dimethoxybenzoic acid

Base Information

• Chemical Name: 2-(Carboxymethyl)-4,5-dimethoxybenzoic acid
• CAS No.: 3809-00-5
• Molecular Formula: C11H12O6
• Molecular Weight: 240.213
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID10391294
• Nikkaji Number: J3.628.856F
• Mol file: 3809-00-5.mol

Synonyms:2-(carboxymethyl)-4,5-dimethoxybenzoic acid;3809-00-5;SCHEMBL2339398;DTXSID10391294;NOUUHGZLGUYQON-UHFFFAOYSA-N;MFCD03447205;AKOS001647425;AS-65919;2-carboxy-4,5-dimethoxybenzeneacetic acid;2-(carboxymethyl)-4,5-dimethoxybenzoicacid;4,5-Dimethoxy-2-(carboxymethyl)benzoic acid;CS-0061904;J3.628.856F;W17345;SR-01000469087;SR-01000469087-1

Chemical Property of 2-(Carboxymethyl)-4,5-dimethoxybenzoic acid

Chemical Property:

• Appearance/Colour: White powder soild
• Melting Point: 215 °C (decomp)
• Boiling Point: 427.634 °C at 760 mmHg
• PKA: 3.92±0.36(Predicted)
• Flash Point: 167.679 °C
• PSA: 93.06000
• Density: 1.354 g/cm³
• LogP: 1.02910
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 240.06338810
• Heavy Atom Count: 17
• Complexity: 290

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-(Carboxymethyl)-4,5-dimethoxybenzoic acid ^*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)CC(=O)O)C(=O)O)OC

Technology Process of 2-(Carboxymethyl)-4,5-dimethoxybenzoic acid

There total 28 articles about 2-(Carboxymethyl)-4,5-dimethoxybenzoic 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: 95.0%

6,7-dimethoxy-3,4-dihydro-1H-2-benzopyran-3-one (16135-41-4) → 4,5-dimethoxyhomophthalic acid (3809-00-5)

Guidance literature:

With potassium hydroxide; potassium permanganate; for 10h; Ambient temperature;

DOI:10.1002/ardp.2503240810

Reference yield: 72.0%

5,6-dimethoxyindane-1,2-dione (42337-64-4) → 4,5-dimethoxyhomophthalic acid (3809-00-5)

Guidance literature:

With dihydrogen peroxide; acetic acid; cooling;

Reference yield: 56.0%

2-(2-carboxy-4,5-dimethoxy-phenyl)-malonic acid (1227253-50-0) → 4,5-dimethoxyhomophthalic acid (3809-00-5)

Guidance literature:

With water; sodium hydroxide; In tetrahydrofuran; for 24h; Reflux;

upstream raw materials:

(+)-O-trimethylbrazilin

2-acetyl-4,5-dimethoxyphenylacetic acid

6,7-dimethoxy-3,4-dihydro-1H-2-benzopyran-3-one

2-bromo-4,5-dimethoxybenzoic acid

Downstream raw materials:

N-[(3,4-dimethylphenyl)methyl]-2-ethyl-6,7-dimethoxy-1-oxo-isoquinoline-4-carboxamide

2-ethyl-6,7-dimethoxy-N-[[2-(2-methoxyethoxy)-4-methyl-phenyl]methyl]-1-oxo-isoquinoline-4-carboxamide

(+/-)-glaucine

laudanosine

Refernces

• 1、 Dasaradhan, Changalaraya,Kumar, Yadavalli Suneel,Prabakaran, Kamalakannan,Khan, Fazlur-Rahman Nawaz,Jeong, Euh Duck,Chung, Eun Hyuk. "Efficient and convenient copper-free Pd(OAc)2/Ruphos-catalyzed Sonogashira coupling in the preparation of corfin analogues". . p. 784 - 788. Retrieved 2015.
• 2、 Kumar, Yadavalli Suneel,Dasaradhan, Changalaraya,Prabakaran, Kamalakannan,Manivel, Pitchai,Nawaz Khan, Fazlur-Rahman,Jeong, Euh Duck,Chung, Eun Hyuk. "Palladium catalyzed Suzuki Miyaura cross coupling of 3-chloroisochromen-1-one: Synthesis of glomellin and reticulol analogues". . p. 941 - 945. Retrieved 2015/02/05.