(5-Chloro-2-iodophenyl)methanol

Base Information

• Chemical Name: (5-Chloro-2-iodophenyl)methanol
• CAS No.: 82386-90-1
• Molecular Formula: C7H6ClIO
• Molecular Weight: 268.482
• European Community (EC) Number: 845-568-8
• DSSTox Substance ID: DTXSID70355892
• Wikidata: Q72452400
• Mol file: 82386-90-1.mol

Synonyms:(5-chloro-2-iodophenyl)methanol;82386-90-1;5-chloro-2-iodobenzenemethanol;5-chloro-2-iodobenzyl alcohol;5-chloro-2-iodobenzylalcohol;2-iodo-5-chlorobenzyl alcohol;SCHEMBL4704235;DTXSID70355892;(5-Chloro-2-iodo-phenyl)-methanol;AKOS005216324;CS-0243241;FT-0728747;EN300-261364;F85831;AE-641/25069012;Z1269213471

Chemical Property of (5-Chloro-2-iodophenyl)methanol

Chemical Property:

• Melting Point: 102-104oC
• Boiling Point: 316oC
• Flash Point: 145oC
• PSA: 20.23000
• Density: 1.955
• LogP: 2.43690
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 267.91519
• Heavy Atom Count: 10
• Complexity: 110

Purity/Quality:

98.5% ^*data from raw suppliers

(5-CHLORO-2-IODOPHENYL)METHANOL 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)CO)I

Technology Process of (5-Chloro-2-iodophenyl)methanol

There total 5 articles about (5-Chloro-2-iodophenyl)methanol 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%

5-chloro-2-iodo-benzoic acid (13421-00-6) → 5-chloro-2-iodobenzyl alcohol (82386-90-1)

Guidance literature:

With Trimethyl borate; dimethylsulfide borane complex; In tetrahydrofuran; at 20 ℃; for 18h;

Reference yield:

5-chloro-2-iodo-benzoic acid (13421-00-6) + 2-Chloro-11-H-dibenz-1,4-oxathiepin (82386-96-7) → 5-chloro-2-iodobenzyl alcohol (82386-90-1)

Guidance literature:

With hydrogenchloride; sodium borohydrid; trifluoroborane diethyl ether; In tetrahydrofuran;

Reference yield:

5-chloroanthranilic acid (635-21-2) → 5-chloro-2-iodobenzyl alcohol (82386-90-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium nitrite; hydrogenchloride / water / 1 h / 0 °C

1.2: 0 - 90 °C

2.1: sodium tetrahydroborate; boron trifluoride diethyl etherate / tetrahydrofuran / 0 - 20 °C

With hydrogenchloride; sodium tetrahydroborate; boron trifluoride diethyl etherate; sodium nitrite; In tetrahydrofuran; water;

DOI:10.1039/c3cc40577j

upstream raw materials:

5-chloro-2-iodo-benzoic acid

2-iodoyl-3,5-dichlorobenzoic acid

Trimethyl borate

2-Chloro-11-H-dibenz-1,4-oxathiepin

Downstream raw materials:

2-(bromomethyl)-4-chloro-1-iodobenzene

5-chloro-2-iodobenzaldehyde

4-chloro-2-(2-methoxy-ethoxymethyl)-benzaldehyde

4-chloro-1-iodo-2-(2-methoxy-ethoxymethyl)-benzene