3-Iodo-4-methoxybenzyl alcohol

Base Information

• Chemical Name: 3-Iodo-4-methoxybenzyl alcohol
• CAS No.: 53279-82-6
• Molecular Formula: C8H9IO2
• Molecular Weight: 264.063
• Hs Code.: 2909499000
• European Community (EC) Number: 626-113-0
• DSSTox Substance ID: DTXSID90358406
• Nikkaji Number: J1.296.248G
• Wikidata: Q82138935
• Mol file: 53279-82-6.mol

Synonyms:(3-iodo-4-methoxyphenyl)methanol;3-Iodo-4-methoxybenzyl alcohol;53279-82-6;SCHEMBL2723044;DTXSID90358406;KZPCWHSKIBZFFS-UHFFFAOYSA-N;MFCD04210160;STK198962;AKOS000335927;3-Iodo-4-methoxybenzyl alcohol, 97%;CS-0118775;FT-0744346

Chemical Property of 3-Iodo-4-methoxybenzyl alcohol

Chemical Property:

• Vapor Pressure: 4.77E-05mmHg at 25°C
• Melting Point: 81-85 °C
• Refractive Index: 1.617
• Boiling Point: 335.3 °C at 760 mmHg
• PKA: 14.18±0.10(Predicted)
• Flash Point: 156.6 °C
• PSA: 29.46000
• Density: 1.768 g/cm³
• LogP: 1.79210
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 263.96473
• Heavy Atom Count: 11
• Complexity: 119

Purity/Quality:

99% ^*data from raw suppliers

3-Iodo-4-methoxybenzyl alcohol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)CO)I

Technology Process of 3-Iodo-4-methoxybenzyl alcohol

There total 3 articles about 3-Iodo-4-methoxybenzyl alcohol 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: 100.0%

4-Methoxybenzyl alcohol (105-13-5) → (3-iodo-4-methoxyphenyl)methanol (53279-82-6)

Guidance literature:

With tetramethylammonium dibromoiodate(I); at 20 ℃; for 0.166667h;

DOI:10.1021/jo0264628

Reference yield: 80.0%

3-iodo-4-methoxybenzaldehyde (2314-37-6) → (3-iodo-4-methoxyphenyl)methanol (53279-82-6)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 0 - 20 ℃; for 3h; Inert atmosphere;

DOI:10.1016/j.tetlet.2020.151676

Reference yield:

3-iodo-4-methoxy-benzoic acid methyl ester (35387-93-0) → (3-iodo-4-methoxyphenyl)methanol (53279-82-6)

Guidance literature:

With diisobutylaluminium hydride; In tetrahydrofuran; at -78 - 20 ℃; for 12h;

DOI:10.1021/jacs.9b12355

upstream raw materials:

4-Methoxybenzyl alcohol

3-iodo-4-methoxybenzaldehyde

3-iodo-4-methoxy-benzoic acid methyl ester

Downstream raw materials:

6-methyl-1,2,3,4 tetrahydroquinoline

4-hydroxy-3-iodo-benzaldehyde

3-iodo-4-methoxybenzaldehyde

3-[5-(hydroxymethyl)-2-methoxybenzyl]benzonitrile

Refernces

• 1、 Dong, Guangbin,Liu, Peng,Wang, Jianchun,Xu, Xiaolong,Zhou, Yun. "Entry to 1,2,3,4-Tetrasubstituted Arenes through Addressing the " Meta Constraint" in the Palladium/Norbornene Catalysis". supporting information. p. 3050 - 3059. Retrieved 2020/03/10.
• 2、 Hajipour, Abdol R.,Arbabian, Marty,Ruoho, Arnold E.. "Tetramethylammonium dichloroiodate: An efficient and environmentally friendly iodination reagent for iodination of aromatic compounds under mild and solvent-free conditions". . p. 8622 - 8624. Retrieved 2007/10/03.