5-BROMO-2-IODOBENZENEMETHANOL

Base Information

• Chemical Name: 5-BROMO-2-IODOBENZENEMETHANOL
• CAS No.: 199786-58-8
• Molecular Formula: C7H6BrIO
• Molecular Weight: 312.933
• Hs Code.: 2906299090
• European Community (EC) Number: 894-781-2
• DSSTox Substance ID: DTXSID50571730
• Nikkaji Number: J907.824J
• Wikidata: Q82459892
• Mol file: 199786-58-8.mol

Synonyms:5-BROMO-2-IODOBENZENEMETHANOL;5-BROMO-2-IODOBENZYL ALCOHOL

Chemical Property of 5-BROMO-2-IODOBENZENEMETHANOL

Chemical Property:

• Melting Point: 114-155 °C
• Boiling Point: 346.3±27.0 °C(Predicted)
• PKA: 13.93±0.10(Predicted)
• PSA: 20.23000
• Density: 2.211±0.06 g/cm3(Predicted)
• LogP: 2.54600
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 311.86467
• Heavy Atom Count: 10
• Complexity: 110

Purity/Quality:

98% ^*data from raw suppliers

5-Bromo-2-iodobenzyl alcohol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Br)CO)I

Technology Process of 5-BROMO-2-IODOBENZENEMETHANOL

There total 8 articles about 5-BROMO-2-IODOBENZENEMETHANOL 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-bromo-2-iodo-benzoic acid methyl ester (181765-86-6) → (5-bromo-2-iodo-phenyl)-methanol (199786-58-8)

Guidance literature:

With diisobutylaluminium hydride; In tetrahydrofuran; dichloromethane; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1021/ol8009623

Reference yield: 97.0%

5-bromo-2-iodo-benzoic acid (21740-00-1) → (5-bromo-2-iodo-phenyl)-methanol (199786-58-8)

Guidance literature:

With borane-THF; at 0 ℃; for 2h;

DOI:10.1055/s-1997-1343

Reference yield: 95.0%

4-bromo-2-(bromomethyl)-1-iodobenzene (495414-06-7) → (5-bromo-2-iodo-phenyl)-methanol (199786-58-8)

Guidance literature:

With tetrabutylammomium bromide; sodium acetate; In water; at 110 ℃; for 24h;

DOI:10.1016/j.dyepig.2016.09.055

upstream raw materials:

5-bromo-2-iodo-benzoic acid

5-Bromo-2-aminobenzoic acid

5-bromo-2-iodo-benzoic acid methyl ester

anthranilic acid

Downstream raw materials:

5-bromo-2-iodobenzaldehyde

2,5-bis((trimethylsilyl)ethynyl)benzaldehyde

5-bromo-2-((triisopropylsilyl)ethynyl)benzaldehyde

1,4-bis(5-bromo-2-iodostyryl)benzene

Refernces

• 1、 Chen, Xiangyang,Hoskin, John F.,Houk, K. N.,Provencher, Philip A.,Sorensen, Erik J.,Wong, Jonathan J.,Yu, Jin-Quan. "Pd(II)-Catalyzed Synthesis of Benzocyclobutenes by β-Methylene-Selective C(sp3)-H Arylation with a Transient Directing Group". supporting information. p. 20035 - 20041. Retrieved 2021/12/09.
• 2、 Caspers, Lucien D.,Spils, Julian,Damrath, Mattis,Lork, Enno,Nachtsheim, Boris J.. "One-Pot Synthesis and Conformational Analysis of Six-Membered Cyclic Iodonium Salts". . p. 9161 - 9178. Retrieved 2020/08/14.