4-Iodobenzyl alcohol

Base Information

• Chemical Name: 4-Iodobenzyl alcohol
• CAS No.: 18282-51-4
• Molecular Formula: C7H7IO
• Molecular Weight: 234.036
• Hs Code.: 29062990
• European Community (EC) Number: 627-655-0
• DSSTox Substance ID: DTXSID90171339
• Nikkaji Number: J69.041D
• Wikidata: Q72483425
• Mol file: 18282-51-4.mol

Synonyms:4-Iodobenzyl alcohol;(4-iodophenyl)methanol;18282-51-4;Benzenemethanol, 4-iodo-;p-Iodobenzyl alcohol;BENZYL ALCOHOL, p-IODO-;4-Iodobenzylalcohol;BRN 1931621;MFCD01732720;p-iodobenzylalcohol;4-iodobenzyl-alcohol;p-Iodo Benzylalcohol;p-lodo-benzyl alcohol;4-Iodo-benzyl alcohol;4-Iodobenzyl alcohol, 97%;SCHEMBL111405;DTXSID90171339;AB3864;AKOS005068123;AC-1368;CS-W010340;PS-5592;LS-43058;SY019171;AM20030209;FT-0618787;I0810;A22354;EN300-113263;J-011702;Z385370342

Chemical Property of 4-Iodobenzyl alcohol

Chemical Property:

• Appearance/Colour: off-white crystalline powder
• Vapor Pressure: 0.00414mmHg at 25°C
• Melting Point: 72-75 °C(lit.)
• Refractive Index: 1.648
• Boiling Point: 267.1 °C at 760 mmHg
• PKA: 14.16±0.10(Predicted)
• Flash Point: 115.3 °C
• PSA: 20.23000
• Density: 1.867 g/cm³
• LogP: 1.78350
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Sensitive.: Light Sensitive
• Solubility.: soluble in Methanol
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 233.95416
• Heavy Atom Count: 9
• Complexity: 77

Purity/Quality:

99% ^*data from raw suppliers

4-Iodobenzyl alcohol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1CO)I
• Uses: 4-Iodobenzyl alcohol may be used in the preparation of:S-(4-Iodobenzyl) thioacetateS-(4-iodobenzyl) thiobenzoatefatty acid 4-iodobenzyl esters (FAIBEs)(4-trimethylsilylethynylphenyl)methanol

Technology Process of 4-Iodobenzyl alcohol

There total 34 articles about 4-Iodobenzyl 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-iodobenzoic acid (619-58-9) → 4-iodo-benzyl alcohol (18282-51-4)

Guidance literature:

With borane-THF; In tetrahydrofuran; at -20 - 50 ℃; for 14h; Reflux;

DOI:10.1016/j.bmcl.2012.05.012

Reference yield: 99.0%

4-iodobenzoic acid ethyl ester (51934-41-9) → 4-iodo-benzyl alcohol (18282-51-4)

Guidance literature:

With diisobutylaluminium hydride; In hexane; toluene; at -60 - -10 ℃; for 2h; Inert atmosphere;

DOI:10.1002/chem.200802306

Reference yield: 98.0%

p-(iodophenyl)carboxaldehyde (15164-44-0) → 4-iodo-benzyl alcohol (18282-51-4)

Guidance literature:

With (7,8-benzoquinolinato)hydrido(aqua)bis(triphenylphosphine)iridium(III) tetrakis[3,5-bis(trifluoromethyl)phenyl]borate; hydrogen; N-ethyl-N,N-diisopropylamine; In toluene; at 80 ℃; for 4h; under 760.051 Torr;

DOI:10.1021/om400267n

upstream raw materials:

4-iodobenzoic acid

1-bromomethyl-4-iodobenzene

potassium acetate

p-(iodophenyl)carboxaldehyde

Downstream raw materials:

Octanoic acid 4-iodo-benzyl ester

4-Iodbenzyl-n-hexylcarbonat

Carbonic acid 4-iodo-benzyl ester octyl ester

4-iodobenzyl chloride

Refernces

• 1、 Li, Gao,Abroshan, Hadi,Chen, Yuxiang,Jin, Rongchao,Kim, Hyung J.. "Experimental and Mechanistic Understanding of Aldehyde Hydrogenation Using Au25 Nanoclusters with Lewis Acids: Unique Sites for Catalytic Reactions". . p. 14295 - 14304. Retrieved 2015.
• 2、 Chetty, Sarentha,Armstrong, Tom,Sharma Kharkwal, Shalu,Drewe, William C.,De Matteis, Cristina I.,Evangelopoulos, Dimitrios,Bhakta, Sanjib,Thomas, Neil R.. "New inha inhibitors based on expanded triclosan and di-triclosan analogues to develop a new treatment for tuberculosis". . . Retrieved 2021/05/03.
• 3、 Chakraborty, Soumi,Das, Arpan,Mandal, Swadhin K.. "Redox-active ligand based Mn(i)-catalyst for hydrosilylative ester reduction". supporting information. p. 12671 - 12674. Retrieved 2021/12/04.