(3-Iodo-2-methylphenyl)methanol

Base Information

• Chemical Name: (3-Iodo-2-methylphenyl)methanol
• CAS No.: 76350-89-5
• Molecular Formula: C8H9IO
• Molecular Weight: 248.063
• DSSTox Substance ID: DTXSID20567302
• Wikidata: Q82453147
• Mol file: 76350-89-5.mol

Synonyms:(3-iodo-2-methylphenyl)methanol;76350-89-5;3-iodo-2-methylbenzyl alcohol;Benzenemethanol, 3-iodo-2-methyl-;(3-Iodo-2-methyl-phenyl)-methanol;3iodo-2-methylbenzyl alcohol;SCHEMBL6271262;DTXSID20567302;WVKFJUYXMBJNKD-UHFFFAOYSA-N;(3-iodo-2-methylphenyl)-methanol;BDA35089;CL9687;MFCD18397813;AKOS026675663;SS-4707;CS-0377810;EN300-234140;Z1269226759

Chemical Property of (3-Iodo-2-methylphenyl)methanol

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 247.96981
• Heavy Atom Count: 10
• Complexity: 105

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC=C1I)CO

Technology Process of (3-Iodo-2-methylphenyl)methanol

There total 3 articles about (3-Iodo-2-methylphenyl)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: 92.0%

3-iodo-2-methylbenzoic acid (133232-56-1) → (3-iodo-2-methylphenyl)methanol (76350-89-5)

Guidance literature:

With Trimethyl borate; dimethylsulfide borane complex; In tetrahydrofuran; at 20 ℃; for 1.5h; Heating / reflux;

Reference yield:

2-methyl-3-nitrobenzic acid (1975-50-4) → (3-iodo-2-methylphenyl)methanol (76350-89-5)

Guidance literature:

Multi-step reaction with 3 steps

1: H₂ / Pd/C / dimethylformamide / 2223.7 Torr

2: 1.) NaNO₂, HCl; 2.) KI / 1.) DMF

3: 83 percent / BH₃*SMe₂, B(OMe)3 / tetrahydrofuran / 20 °C

With hydrogenchloride; Trimethyl borate; dimethylsulfide borane complex; hydrogen; potassium iodide; sodium nitrite; palladium on activated charcoal; In tetrahydrofuran; N,N-dimethyl-formamide;

DOI:10.1016/S0040-4039(98)01965-0

Reference yield:

3-amino-2-methylbenzoic acid (52130-17-3) → (3-iodo-2-methylphenyl)methanol (76350-89-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) NaNO₂, HCl; 2.) KI / 1.) DMF

2: 83 percent / BH₃*SMe₂, B(OMe)3 / tetrahydrofuran / 20 °C

With hydrogenchloride; Trimethyl borate; dimethylsulfide borane complex; potassium iodide; sodium nitrite; In tetrahydrofuran;

DOI:10.1016/S0040-4039(98)01965-0

upstream raw materials:

3-iodo-2-methylbenzoic acid

2-methyl-3-nitrobenzic acid

3-amino-2-methylbenzoic acid

Downstream raw materials:

3-iodo-2-methylbenzyl methoxymethyl ether

3-iodo-2-methyl-benzaldehyde

4-(α-hydroxy-3-methoxymethoxymethyl-2-methylbenzyl)-1-triphenylmethylimidazole

4-(3-methoxymethoxymethyl-2-methylbenzoyl)-1-triphenylmethylimidazole