4-Iodo-3-methoxybenzoic acid

Base Information

• Chemical Name: 4-Iodo-3-methoxybenzoic acid
• CAS No.: 282087-44-9
• Molecular Formula: C8H7IO3
• Molecular Weight: 278.046
• Hs Code.: 2918999090
• European Community (EC) Number: 899-483-6
• DSSTox Substance ID: DTXSID40591649
• Nikkaji Number: J2.185.350J
• Wikidata: Q82485472
• Mol file: 282087-44-9.mol

Synonyms:4-Iodo-3-methoxybenzoic acid;282087-44-9;4-iodo-3-methoxybenzenecarboxylic acid;Benzoic acid, 4-iodo-3-methoxy-;4-Iodo-3-methoxybenzoicacid;SCHEMBL410669;DTXSID40591649;WUGQVHZHKSOODO-UHFFFAOYSA-N;4-iodo-3-(methyloxy)benzoic acid;MFCD09753732;AKOS005073555;AT15468;LD-0749;DA-39303;CS-0132529;EN300-188811;A1-04142;J-515556;Z1269139629

Chemical Property of 4-Iodo-3-methoxybenzoic acid

Chemical Property:

• Melting Point: 210-212 °C(Solv: cyclohexane (110-82-7); ethyl acetate (141-78-6))
• Boiling Point: 358.0±32.0 °C(Predicted)
• PKA: 3.90±0.10(Predicted)
• PSA: 46.53000
• Density: 1.878±0.06 g/cm3(Predicted)
• LogP: 1.99800
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 277.94399
• Heavy Atom Count: 12
• Complexity: 172

Purity/Quality:

98%min ^*data from raw suppliers

4-Iodo-3-methoxybenzenecarboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Iodo-3-methoxybenzoic acid

There total 12 articles about 4-Iodo-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: 96.0%

methyl 4-iodo-3-methoxybenzoate (35387-92-9) → 4-iodo-3-(methyloxy)benzoic acid (282087-44-9)

Guidance literature:

methyl 4-iodo-3-methoxybenzoate; With potassium hydroxide; In methanol; for 3h; Reflux; Inert atmosphere;

With hydrogenchloride; In methanol; water; Inert atmosphere; Cooling with ice;

DOI:10.1021/jm301127x

Reference yield: 46.0%

3-methoxy-4-aminobenzoic acid (2486-69-3) → 4-iodo-3-(methyloxy)benzoic acid (282087-44-9)

Guidance literature:

3-methoxy-4-aminobenzoic acid; With hydrogenchloride; sodium nitrite; In water; at 0 ℃;

With potassium iodide; In water; for 3h;

Reference yield: 20.0%

3-Methoxybenzoic acid (586-38-9) → 4-iodo-3-(methyloxy)benzoic acid (282087-44-9)

Guidance literature:

3-Methoxybenzoic acid; With n-butyllithium; potassium tert-butylate; In tetrahydrofuran; at -78 - -50 ℃; for 2h;

With iodine; In tetrahydrofuran; at -50 ℃; for 0.5h;

With hydrogenchloride; at 20 ℃;

DOI:10.1021/ol050761c

upstream raw materials:

1-iodo-2-methoxy-4-methylbenzene

4-(3'-Methoxy-4'-iodphenyl)-DL-isovalin

3-Methoxybenzoic acid

4-(3'-Methoxyphenyl)-DL-isovalin

Downstream raw materials:

methyl 4-iodo-3-methoxybenzoate

4-iodo-3-methoxy-benzoyl chloride

tert-butyl 4-iodo-3-methoxybenzoate

4-iodo-3-(methyloxy)benzamide

Refernces

• 1、 -. "IRAK DEGRADERS AND USES THEREOF". Paragraph 00794; 00884; 00887-00888. . Retrieved 2021/01/23.
• 2、 -. "IRAK DEGRADERS AND USES THEREOF". Paragraph 2329; 2331. . Retrieved 2019/07/10.