3-Iodo-5-methoxy-4-propoxybenzaldehyde

Base Information

• Chemical Name: 3-Iodo-5-methoxy-4-propoxybenzaldehyde
• CAS No.: 106331-89-9
• Molecular Formula: C11H13IO3
• Molecular Weight: 320.127
• DSSTox Substance ID: DTXSID00406381
• Wikidata: Q82211318
• Mol file: 106331-89-9.mol

Synonyms:3-iodo-5-methoxy-4-propoxybenzaldehyde;106331-89-9;SCHEMBL8110374;DTXSID00406381;WJFHRYWKLRKARI-UHFFFAOYSA-N;AKOS000295073;3-Methoxy-4-propoxy-5-iodobenzaldehyde;5-iodo-3-methoxy-4-propoxybenzaldehvde;5-iodo-3-methoxy-4-propoxybenzaldehyde;5-iodo 3-methoxy-4-n-propoxybenzaldehyde;CS-0240358;FT-0740531;EN300-228082

Chemical Property of 3-Iodo-5-methoxy-4-propoxybenzaldehyde

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 319.99094
• Heavy Atom Count: 15
• Complexity: 198

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOC1=C(C=C(C=C1I)C=O)OC

Technology Process of 3-Iodo-5-methoxy-4-propoxybenzaldehyde

There total 3 articles about 3-Iodo-5-methoxy-4-propoxybenzaldehyde 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%

5-iodovaniline (5438-36-8) + propyl bromide (106-94-5) → 3-methoxy-4-n-propyloxy-5-iodobenzaldehyde (106331-89-9)

Guidance literature:

In N,N-dimethyl-formamide; at 70 ℃;

DOI:10.1016/S0040-4039(00)97214-9

Reference yield: 93.0%

5-iodovaniline (5438-36-8) + 1-iodo-propane (107-08-4) → 3-methoxy-4-n-propyloxy-5-iodobenzaldehyde (106331-89-9)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide;

Reference yield: 71.0%

1-Chloropropane (540-54-5) + 5-iodovaniline (5438-36-8) → 3-methoxy-4-n-propyloxy-5-iodobenzaldehyde (106331-89-9)

Guidance literature:

5-iodovaniline; With sodium; In ethanol; for 1h; Reflux;

1-Chloropropane; In chloroform; for 1h; Reflux;

DOI:10.1111/cbdd.12464

upstream raw materials:

5-iodovaniline

propyl bromide

1-iodo-propane

1-Chloropropane

Downstream raw materials:

4-(3-Iodo-5-methoxy-4-propoxy-phenyl)-4-oxo-butyric acid tert-butyl ester

3-methoxy-4-propoxy-5-iodobenzoic acid

5--1-iodo-3-methoxy-2-propoxybenzene

4[3-Methoxy-4-n-propyloxy-5-iodophenyl]-4S-butyrolactone