3-Hydroxy-4-iodobenzaldehyde

Base Information

• Chemical Name: 3-Hydroxy-4-iodobenzaldehyde
• CAS No.: 135242-71-6
• Molecular Formula: C7H5IO2
• Molecular Weight: 248.02
• Hs Code.: 2913000090
• European Community (EC) Number: 692-669-6
• DSSTox Substance ID: DTXSID20379487
• Nikkaji Number: J3.262.832J
• Wikidata: Q72484533
• Mol file: 135242-71-6.mol

Synonyms:3-Hydroxy-4-iodobenzaldehyde;135242-71-6;MFCD00114697;3-hydroxy-4-iodo-benzaldehyde;Benzaldehyde, 3-hydroxy-4-iodo-;5-Formyl-2-iodophenol;SCHEMBL430962;DTXSID20379487;IHLOHISMHMTTAA-UHFFFAOYSA-N;AMY10229;AKOS005145571;AC-4647;PS-4204;3-hydroxy-4-iodobenzaldehyde, AldrichCPR;CS-0038831;FT-0643233;A806909;W-205459

Chemical Property of 3-Hydroxy-4-iodobenzaldehyde

Chemical Property:

• Vapor Pressure: 0.012mmHg at 25°C
• Melting Point: 126-128 °C
• Refractive Index: 1.715
• Boiling Point: 252.25 °C at 760 mmHg
• PKA: 7.79±0.10(Predicted)
• Flash Point: 106.357 °C
• PSA: 37.30000
• Density: 2.04 g/cm³
• LogP: 1.80930
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 247.93343
• Heavy Atom Count: 10
• Complexity: 127

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Hydroxy-4-iodobenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-43-41-22
• Safety Statements: 26-36/37/39-66-22-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C=O)O)I

Technology Process of 3-Hydroxy-4-iodobenzaldehyde

There total 5 articles about 3-Hydroxy-4-iodobenzaldehyde 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: 92.0%

3-hydroxy-2,4,6-triiodobenzaldehyde (224641-82-1) → 3-hydroxy-4-iodobenzaldehyde (135242-71-6)

Guidance literature:

With 4-methyl-morpholine; for 6h; Heating;

DOI:10.1021/jo051191x

Reference yield: 88.0%

2-<4-iodo-3-(methoxymethoxy)phenyl>-1,3-dioxane (87905-78-0) → 3-hydroxy-4-iodobenzaldehyde (135242-71-6)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; at 20 ℃; for 40h;

DOI:10.1039/b708449h

Reference yield: 87.0%

meta-hydroxybenzaldehyde (100-83-4) → 3-hydroxy-4-iodobenzaldehyde (135242-71-6)

Guidance literature:

With water; iodine; iodic acid; for 0.4h; regioselective reaction; neat (no solvent);

DOI:10.1016/j.cclet.2010.04.008

upstream raw materials:

5-formyl-2-nitrophenol

3-hydroxy-2,4,6-triiodobenzaldehyde

2-<4-iodo-3-(methoxymethoxy)phenyl>-1,3-dioxane

meta-hydroxybenzaldehyde

Downstream raw materials:

tert-butyl (5-formyl-2-iodo-phenoxy)-acetate

3-(1H-imidazol-2-ylmethoxy)-4-iodobenzaldehyde

2-phenyl-benzofuran-6-carbaldehyde

4-(4-ethynyl-2-methoxyphenyl)-2-methylpyridine

Refernces

• 1、 Vibhute, Archana,Mokle, Shyam,Karamunge, Khushal,Gurav, Vasant,Vibhute, Yeshwant. "A simple and efficient method for solvent-free iodination of hydroxylated aromatic aldehydes and ketones using iodine and iodic acid by grinding method". . p. 914 - 918. Retrieved 2010.
• 2、 Shinde, Avinash T.,Zangade, Sainath B.,Chavan, Shivaji B.,Vibhute, Archana Y.,Nalwar, Yogesh S.,Vibhute, Yeshwant B.. "A practical iodination of aromatic compounds by using iodine and iodic acid". experimental part. p. 3506 - 3513. Retrieved 2011/02/22.