5159-41-1

Basic information

• Product Name: 2-Iodobenzyl alcohol
• Synonyms: 2-IODOBENZYL ALCOHOL;RARECHEM AL BD 0562;O-IODOBENZYL ALCOHOL;2-iodobenzylic alcohol;2-Iodobenzenemethanol.;BENZYLALCOHOL,ORTHO-IODO-;2-Iodophenylmethanol;2-Iodobenzyl alcohol,99%
• CAS NO: 5159-41-1
• Molecular Formula: C₇H₇IO
• Molecular Weight: 234.03
• EINECS: 225-933-2
• Product Categories: Benzhydrols, Benzyl & Special Alcohols;Alcohols;Iodine Compounds;C7 to C8;Oxygen Compounds
• Mol File: 5159-41-1.mol
• Article Data: 48

Chemical Properties

• Melting Point: 89-92 °C(lit.)
• Boiling Point: 145°C/10mmHg(lit.)
• Flash Point: 128.2 °C
• Appearance: White to yellow or pinkish/Needle-Like Powder
• Density: 1.7904 (estimate)
• Vapor Pressure: 0.00109mmHg at 25°C
• Refractive Index: 1.6349
• Storage Temp.: Store under Nitrogen
• PKA: 14.01±0.10(Predicted)
• Water Solubility: Insoluble in water.
• Sensitive: Light Sensitive
• BRN: 2079487
• CAS DataBase Reference: 2-Iodobenzyl alcohol(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Iodobenzyl alcohol(5159-41-1)
• EPA Substance Registry System: 2-Iodobenzyl alcohol(5159-41-1)

Safety Data

• Hazard Codes: Xi
• Statements: 36/38-36/37/38
• Safety Statements: 22-24/25-37/39-26
• WGK Germany: 3
• F: 8-10
• Hazardous Substances Data: 5159-41-1(Hazardous Substances Data)

Usage

Description

2-Iodobenzyl alcohol is an organic compound with the chemical formula C13H11IO, featuring a benzyl group with an iodine atom attached to the second carbon. It is a white to yellow or pinkish needle-like powder and is known for its unique chemical properties.

Uses

Used in Pharmaceutical Industry:
2-Iodobenzyl alcohol is used as an intermediate in the synthesis of various pharmaceutical compounds for its ability to be easily modified and incorporated into complex molecular structures.
Used in Chemical Synthesis:
2-Iodobenzyl alcohol is used as a building block in the synthesis of substituted seven-membered lactones, such as 2-[(E)-(1'-iodo-2'-propenyl)]benzyl alcohol, and other complex organic molecules like 2,3-diphenyl-1-indenone, due to its reactive iodine atom and benzyl group.
These applications highlight the versatility of 2-Iodobenzyl alcohol in different industries, particularly in the synthesis of pharmaceutical compounds and other complex organic molecules. Its unique chemical properties make it a valuable asset in the development of new drugs and chemical products.

Synthesis Reference(s)

The Journal of Organic Chemistry, 39, p. 3052, 1974 DOI: 10.1021/jo00934a028

InChI:InChI=1/C7H7IO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2

Upstream product

• 40400-13-3 2-Iodobenzyl bromide 
• 610-97-9 o-iodo-methyl-benzoic acid 
• 118-92-3 anthranilic acid 
• 99948-46-6 2-tetrahydropyranyloxymethyl-1-iodobenzene 
• 100-51-6 benzyl alcohol 
• 116599-64-5 2-dichloroiodanyl-benzyl alcohol 
• 64-19-7 acetic acid 
• 609-67-6 2-Iodobenzoyl chloride 
• 101290-83-9 Bis-<2-jod-phenylacetyl>-peroxid 
• 26260-02-6 2-iodobenzaldehyde 
• 88-67-5 2-Iodobenzoic acid 
• 5344-90-1 2-Aminobenzyl alcohol 
• 80953-51-1 (2-iodophenyl)methyl acetate 
• 18698-96-9 o-iodophenylacetic acid 

Downstream Products

• 26260-02-6 2-iodobenzaldehyde 
• 4622-38-2 2-iodobenzyliodide 
• 116599-64-5 2-dichloroiodanyl-benzyl alcohol 
• 59473-45-9 2-(chloromethyl)iodobenzene 
• 875313-01-2 3-benzyloxy-4-methyleneisochroman 
• 90003-91-1 1-iodo-2-(methoxymethyl)benzene 
• 126087-58-9 2-Cyclopent-2-eneylbenzyl alcohol 
• 159143-37-0 2-methyl-4-<2-<<(tert-butyldimethylsilyl)oxy>methyl>phenyl>-3-butyn-2-ol 
• 80953-51-1 (2-iodophenyl)methyl acetate 
• 120417-31-4 1-Iodo-2-oct-7-en-2-ynyloxymethyl-benzene 
• 111505-98-7 (4S,6S)-6-[2-(2,4-Dichloro-phenyl)-ethyl]-4-(2-hydroxymethyl-phenyl)-tetrahydro-pyran-2-one 
• 129034-77-1 4-(2-(hydroxymethyl)phenyl)-3-(1-methylethoxy)cyclobut-3-ene-1,2-dione 
• 129034-81-7 3-(2-(hydroxymethyl)phenyl)-4-methylcyclobut-3-ene-1,2-dione 2-(ethylene acetal) 

Relevant articles and documents

MACROCYCLIC COMPOUNDS USEFUL AS CHITINASE INHIBITORS

The present invention relates to macrocyclic compounds of formula (I) and their use as chitinase inhibitors as well as to pharmaceutical compositions and methods of preparation thereof. The compounds can in particular be used in the treatment, prevention and/or amelioration of asthma.

KMnO4-catalyzed chemoselective deprotection of acetate and controllable deacetylation-oxidation in one pot

A novel and efficient protocol for chemoselective deacetylation under ambient conditions was developed using catalytic KMnO4. The stoichiometric use of KMnO4 highlighted the dual role of a heterogeneous oxidant enabling direct access to aromatic aldehydes in one-pot sequential deacetylation-oxidation. The reaction employed an alternative solvent system and allowed the clean transformation of benzyl acetate to sensitive aldehyde in a single step while preventing over-oxidation to acids. Use of inexpensive and readily accessible KMnO4 as an environmentally benign reagent and the ease of the reaction operation were particularly attractive, and enabled the controlled oxidation and facile cleavage of acetate in a preceding step. This journal is

One-Pot Synthesis and Conformational Analysis of Six-Membered Cyclic Iodonium Salts

Two one-pot procedures for the construction of carbon-bridged diaryliodonium triflates and tetrafluoroborates are described. Strong Br?nsted acids enable the effective Friedel-Crafts alkylation with diversely substituted o-iodobenzyl alcohol derivatives, providing diphenylmethane scaffolds, which are subsequently oxidized and cyclized to the corresponding dibenzo[b,e]iodininium salts. Based on NMR investigations and density functional theory (DFT) calculations, we could verify the so-far-undescribed existence of two stable isomers in cyclic iodonium salts substituted with aliphatic side chains in the carbon bridge.