5-Iodo-2,4-dimethoxybenzaldehyde

Base Information

• Chemical Name: 5-Iodo-2,4-dimethoxybenzaldehyde
• CAS No.: 121177-67-1
• Molecular Formula: C9H9IO3
• Molecular Weight: 292.073
• European Community (EC) Number: 694-471-5
• DSSTox Substance ID: DTXSID40557927
• Nikkaji Number: J2.541.788G
• Wikidata: Q82439999
• Mol file: 121177-67-1.mol

Synonyms:5-Iodo-2,4-dimethoxybenzaldehyde;121177-67-1;5-IODO-2,4-DIMETHOXY-BENZALDEHYDE;SCHEMBL2816217;DTXSID40557927;RKDRKAVGBBJYJG-UHFFFAOYSA-N;5-iodo-2,4-dimethoxy- benzaldehyde;SB31780;5-Iodo-2,4-dimethoxybenzaldehyde, 97%;CS-0442152

Chemical Property of 5-Iodo-2,4-dimethoxybenzaldehyde

Chemical Property:

• Melting Point: 172-176°C
• PSA: 35.53000
• LogP: 2.12090
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 291.95964
• Heavy Atom Count: 13
• Complexity: 174

Purity/Quality:

97% ^*data from raw suppliers

5-Iodo-2,4-dimethoxybenzaldehyde 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36/37/38-43-52
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1C=O)I)OC

Technology Process of 5-Iodo-2,4-dimethoxybenzaldehyde

There total 5 articles about 5-Iodo-2,4-dimethoxybenzaldehyde 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%

2,4-Dimethoxybenzaldehyde (613-45-6) → 5-iodo-2,4-dimethoxybenzaldehyde (121177-67-1)

Guidance literature:

With N-iodo-succinimide; silver(I) triflimide; In dichloromethane; at 40 ℃; for 1h; Darkness;

DOI:10.1021/acs.joc.5b02761

Reference yield: 87.5%

2,4-dimethoxy-5-thiazol-2-yl-benzaldehyde (552845-97-3) → 5-iodo-2,4-dimethoxybenzaldehyde (121177-67-1)

Guidance literature:

With Iodine monochloride; In methanol; at 20 ℃; for 3h;

DOI:10.1021/jm0614230

Reference yield:

2-(5-bromo-2,4-dimethoxy-phenyl)-[1,3]dioxolane (552845-84-8) → 5-iodo-2,4-dimethoxybenzaldehyde (121177-67-1)

Guidance literature:

Multi-step reaction with 3 steps

1: aq. Na₂CO₃ / Pd(OAc)2 / 6 h / 100 °C

2: 83 percent / water / p-toluenesulfonic acid / acetone / 20 °C

3: 87.5 percent / ICl / methanol / 3 h / 20 °C

With water; Iodine monochloride; sodium carbonate; palladium diacetate; toluene-4-sulfonic acid; In methanol; acetone; 1: Suzuki coupling;

DOI:10.1021/jm0614230

upstream raw materials:

2,4-dimethoxy-5-thiazol-2-yl-benzaldehyde

2,4-Dimethoxybenzaldehyde

2-(5-bromo-2,4-dimethoxy-phenyl)-[1,3]dioxolane

2-(5-[1,3]dioxolan-2-yl-2,4-dimethoxy-phenyl)-thiazole

Downstream raw materials:

5-(2-aminophenylethynyl)-2,4-dimethoxybenzaldehyde

2,4-dimethoxy-5-((trimethylsilyl)ethynyl)benzaldehyde

tert-butyl ((S)-1-(((2S,3S)-1-(((S)-1-amino-4-methyl-1-oxopentan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)amino)-3-(5-((Z)-2-iodovinyl)-2,4-dimethoxyphenyl)-1-oxopropan-2-yl)(methyl)carbamate

5-(1H-indol-2-yl)-2,4-dimethoxybenzaldehyde