2-Iodo-4,5-dimethoxybenzoic acid

Base Information

• Chemical Name: 2-Iodo-4,5-dimethoxybenzoic acid
• CAS No.: 61203-48-3
• Molecular Formula: C9H9IO4
• Molecular Weight: 308.073
• Hs Code.: 29163990
• European Community (EC) Number: 675-690-5
• DSSTox Substance ID: DTXSID70374321
• Nikkaji Number: J1.208.767E
• Wikidata: Q82162856
• Mol file: 61203-48-3.mol

Synonyms:2-iodo-4,5-dimethoxybenzoic acid;61203-48-3;4,5-Dimethoxy-2-iodobenzoic acid;Benzoic acid,2-iodo-4,5-dimethoxy-;C9H9IO4;SCHEMBL238197;DTXSID70374321;HLLHFIIJEOARHX-UHFFFAOYSA-N;3,4-dimethoxy-6-iodobenzoic acid;MFCD00079751;TD1240;AKOS000147560;AS-10649;CS-0112938;FT-0600856;EN300-63942;A833095

Chemical Property of 2-Iodo-4,5-dimethoxybenzoic acid

Chemical Property:

• Vapor Pressure: 4.62E-06mmHg at 25°C
• Melting Point: 206-208°C
• Refractive Index: 1.607
• Boiling Point: 367.9 °C at 760 mmHg
• PKA: 3.01±0.10(Predicted)
• Flash Point: 176.3 °C
• PSA: 55.76000
• Density: 1.79g/cm³
• LogP: 2.00660
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 307.95456
• Heavy Atom Count: 14
• Complexity: 209

Purity/Quality:

97% ^*data from raw suppliers

2-Iodo-4,5-dimethoxybenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Iodo-4,5-dimethoxybenzoic acid

There total 6 articles about 2-Iodo-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: 98.0%

2-iodo-4,5-dimethoxybenzaldehyde (61203-53-0) → 2-iodo-4,5-dimethoxybenzoic acid (61203-48-3)

Guidance literature:

With sodium chlorite; sodium dihydrogenphosphate; dihydrogen peroxide; In water; acetonitrile; at 10 ℃; for 5h;

DOI:10.3987/COM-98-S15

Reference yield: 96.0%

2-iodo-4,5-dimethoxybenzoic acid methyl ester (173043-61-3) → 2-iodo-4,5-dimethoxybenzoic acid (61203-48-3)

Guidance literature:

With water; sodium hydroxide; In methanol; at 20 ℃; Inert atmosphere;

DOI:10.1002/chem.201403561

Reference yield: 90.24%

2-Amino-4,5-dimethoxybenzoic acid (5653-40-7) → 2-iodo-4,5-dimethoxybenzoic acid (61203-48-3)

Guidance literature:

With hydrogenchloride; potassium iodide; sodium nitrite; In water; at -10 ℃;

DOI:10.14233/ajchem.2014.16703

upstream raw materials:

2-iodo-4,5-dimethoxybenzaldehyde

2-Amino-4,5-dimethoxybenzoic acid

Veratric acid

3,4-dimethoxy-benzaldehyde

Downstream raw materials:

2-iodo-4,5-dimethoxy-N-(4-methoxybenzyl)benzamide

N-(4-methoxybenzyl)-4,5-dimethoxy-2-[(trimethylsilyl)ethynyl]benzamide

(3E)-3-[iodo(trimethylsilyl)methylene]-5,6-dimethoxy-2-(4-methoxybenzyl)isoindolin-1-one

2,3-dimethoxy-12-(2-(methylamino)ethyl)[1,3]dioxolo[4',5':4,5]-benzo[1,2-h]benzo[c][1,6]naphthyridin-13(12H)-one