2-Iodo-5-methoxybenzoic acid

Base Information

• Chemical Name: 2-Iodo-5-methoxybenzoic acid
• CAS No.: 54413-93-3
• Molecular Formula: C8H7IO3
• Molecular Weight: 278.046
• Hs Code.: 2918990090
• European Community (EC) Number: 965-205-8
• DSSTox Substance ID: DTXSID30560900
• Nikkaji Number: J1.669.565C
• Wikidata: Q82444537
• Mol file: 54413-93-3.mol

Synonyms:2-IODO-5-METHOXYBENZOIC ACID;54413-93-3;MFCD00204590;Benzoic acid, 2-iodo-5-methoxy-;2-IODO-5-METHOXYBENZOICACID;2-iodo-5-methoxy benzoic acid;SCHEMBL1586234;DTXSID30560900;DASWULXFGZZRIC-UHFFFAOYSA-N;AMY20747;AKOS015920233;CS-W005683;GS-3939;SY104859;EN300-3036060;A870459;J-509713

Chemical Property of 2-Iodo-5-methoxybenzoic acid

Chemical Property:

• Melting Point: 136-137 °C
• Boiling Point: 351.2±32.0 °C(Predicted)
• PKA: 2.74±0.10(Predicted)
• PSA: 46.53000
• Density: 1.878±0.06 g/cm3(Predicted)
• LogP: 1.99800
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• 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:

97% ^*data from raw suppliers

2-Iodo-5-methoxybenzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Iodo-5-methoxybenzoic acid

There total 16 articles about 2-Iodo-5-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: 73.0%

2-bromo-5-methoxy-benzoic acid (22921-68-2) → 2-iodo-5-methoxybenzoic acid (54413-93-3)

Guidance literature:

With copper(l) iodide; (1S,2S)-N,N'-dimethyl-1,2-diaminocyclohexane; 1,1,1,3,3,3-hexamethyl-disilazane; sodium iodide; In 1,4-dioxane; at 110 ℃; for 24h; Inert atmosphere;

DOI:10.1021/acs.orglett.8b01927

Reference yield: 71.0%

ethyl 5-methoxy-2-iodobenzoate (104807-65-0) → 2-iodo-5-methoxybenzoic acid (54413-93-3)

Guidance literature:

With sodium hydroxide; In methanol; for 5h; Heating;

DOI:10.1021/jo00372a042

Reference yield: 70.0%

2-Amino-5-methoxybenzoic acid (6705-03-9) → 2-iodo-5-methoxybenzoic acid (54413-93-3)

Guidance literature:

2-Amino-5-methoxybenzoic acid; With hydrogenchloride; sodium nitrite; In water; at 0 ℃;

With potassium iodide; In water; at 0 - 70 ℃;

DOI:10.1039/b919114c

upstream raw materials:

1-iodo-4-methoxy-2-methylbenzene

ethyl 5-methoxy-2-iodobenzoate

6-iodo-3-methoxy-2-(trimethylsilyl)benzoic acid

3-methoxy-2-(trimethylsilyl)benzoic acid

Downstream raw materials:

methyl 2-iodo-5-methoxybenzoate

N-(4-ethyl-2-vinylphenyl)-2-iodo-5-methoxybenzamide

N-(4-ethyl-2-vinylphenyl)-2-iodo-5-methoxy-N-methylbenzamide

ethyl 3-(5,11-dihydro-2-ethyl-5-methyl-11-methylene-6-oxodibenz[b,e]azepin-8-yl)benzoate