2-Iodo-5-methylphenol

Base Information

• Chemical Name: 2-Iodo-5-methylphenol
• CAS No.: 35928-80-4
• Molecular Formula: C7H7IO
• Molecular Weight: 234.036
• European Community (EC) Number: 824-736-4
• Nikkaji Number: J801.825A
• Mol file: 35928-80-4.mol

Synonyms:2-IODO-5-METHYLPHENOL;35928-80-4;2-iodo-5-methyl-phenol;Phenol, 2-iodo-5-methyl-;6-iodo-3-methylphenol;Phenol, 3-methyl-6-iodo;SCHEMBL7873593;SYJGEJGXAKCKSI-UHFFFAOYSA-N;AKOS024260366;MB23426;CS-0218008;EN300-97437;Z1269144056

Chemical Property of 2-Iodo-5-methylphenol

Chemical Property:

• PSA: 20.23000
• LogP: 2.30520
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 233.95416
• Heavy Atom Count: 9
• Complexity: 94.9

Purity/Quality:

97% ^*data from raw suppliers

2-Iodo-5-methyl-phenol 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)I)O

Technology Process of 2-Iodo-5-methylphenol

There total 16 articles about 2-Iodo-5-methylphenol 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: 99.0%

4-methyl-2-hydroxybenzenediazonium tetrafluoroborate → 6-iodo-3-methyl-phenol (35928-80-4)

Guidance literature:

With iodine; sodium iodide; In acetonitrile; at 70 ℃; for 4h; Inert atmosphere;

DOI:10.1246/bcsj.20110309

Reference yield: 80.0%

C5H4NSi(CH(CH3)2)2C6H3I(CH3) (1260425-70-4) → 6-iodo-3-methyl-phenol (35928-80-4)

Guidance literature:

C₅H₄NSi(CH(CH₃)2)2C₆H₃I(CH₃); With boron trichloride; In n-heptane; dichloromethane; at 0 - 20 ℃; for 6h; Inert atmosphere;

With dihydrogen peroxide; sodium hydroxide; In dichloromethane; water; at 20 ℃;

DOI:10.1002/anie.201004426

Reference yield: 72.0%

2-Hydroxy-4-methylanilin (2835-98-5) → 6-iodo-3-methyl-phenol (35928-80-4)

Guidance literature:

2-Hydroxy-4-methylanilin; With hydrogenchloride; sodium nitrite; In water; acetone; at 0 ℃; for 1h;

With sodium iodide; In water; acetone; at -10 - 20 ℃; for 19h;

DOI:10.3762/bjoc.12.36

upstream raw materials:

2-iodo-5-methylaniline

2-Hydroxy-4-methylanilin

3-methyl-phenol

1-(methoxymethoxy)-3-methylbenzene

Downstream raw materials:

4-methyl-2-tosyloxyiodobenzene

2-(2-iodo-5-methylphenoxy)-1-phenylethan-1-one

(2-methoxy-4-methylphenyl)boronic acid

C₃₈H₃₂O₂P₂