3-[1-(1H-Imidazol-5-yl)ethyl]-2-methylbenzenemethanol

Base Information

• Chemical Name: 3-[1-(1H-Imidazol-5-yl)ethyl]-2-methylbenzenemethanol
• CAS No.: 128366-50-7
• Molecular Formula: C13H15N2O
• Molecular Weight: 215.271
• DSSTox Substance ID: DTXSID30565950
• Mol file: 128366-50-7.mol

Synonyms:3-Hydroxy Medetomidine;128366-50-7;3-[1-(1H-Imidazol-5-yl)ethyl]-2-methylbenzenemethanol;[3-[1-(1H-imidazol-5-yl)ethyl]-2-methylphenyl]methanol;{3-[1-(1H-Imidazol-5-yl)ethyl]-2-methylphenyl}methanol;SCHEMBL787299;SCHEMBL13258978;DTXSID30565950;PD094744;J-005596

Chemical Property of 3-[1-(1H-Imidazol-5-yl)ethyl]-2-methylbenzenemethanol

Chemical Property:

• PSA: 48.91000
• LogP: 2.36220
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 216.126263138
• Heavy Atom Count: 16
• Complexity: 222

Purity/Quality:

NLT 98% ^*data from raw suppliers

3-HydroxyMedetomidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC=C1C(C)C2=CN=CN2)CO
• Uses: A metabolite of Medetomidine (M203250).

Technology Process of 3-[1-(1H-Imidazol-5-yl)ethyl]-2-methylbenzenemethanol

There total 8 articles about 3-[1-(1H-Imidazol-5-yl)ethyl]-2-methylbenzenemethanol 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: 68.0%

2-(((3',4'dimethoxyphenyl)methoxy)methyl)-6-(1'-methyl-1'-(5''-imidazolyl)methyl)toluene (154148-90-0) → 2-(hydroxymethyl)-6-(1'-methyl-1'-(5''-imidazolyl)methyl)toluene (128366-50-7)

Guidance literature:

With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In dichloromethane; for 1h;

DOI:10.1002/jhet.5570300631

Reference yield:

3-bromo-2-methylbenzyl alcohol (83647-43-2) → 2-(hydroxymethyl)-6-(1'-methyl-1'-(5''-imidazolyl)methyl)toluene (128366-50-7)

Guidance literature:

Multi-step reaction with 7 steps

1: 75 percent / 1.) NaH / dimethylformamide / 1.) 0 deg.C, 30 min, 2.) 30 deg.C, 3 h

2: 1.) Mg / 1.) THF, reflux, 2.5 h, 2.) THF, reflux 3 h

3: 82 percent / pyridinium chlorochromate / CH₂Cl₂ / 36 h / 25 °C

4: 90 percent / tetrahydrofuran / 1.) -78 deg. C, 1 h, 2.) -78 - 0 deg.C, 1 h

5: 100 percent / phosphoryl chloride / CH₂Cl₂ / 1 h / 25 °C

6: 91 percent / H₂ / 10percent Pd/C / ethyl acetate / 48 h / 3102.9 Torr

7: 68 percent / DDQ / CH₂Cl₂ / 1 h

With hydrogen; sodium hydride; magnesium; pyridinium chlorochromate; 2,3-dicyano-5,6-dichloro-p-benzoquinone; trichlorophosphate; palladium on activated charcoal; In tetrahydrofuran; dichloromethane; ethyl acetate; N,N-dimethyl-formamide;

DOI:10.1002/jhet.5570300631

Reference yield:

2-methylphenyl aldehyde (529-20-4) → 2-(hydroxymethyl)-6-(1'-methyl-1'-(5''-imidazolyl)methyl)toluene (128366-50-7)

Guidance literature:

Multi-step reaction with 8 steps

1: 1.) AlCl₃, Br₂, 2.) NaBH₄ / 1.) CH₂Cl₂, 40 deg.C, 30 min, 2.) CH₃OH, 0 deg.C, 2 h

2: 75 percent / 1.) NaH / dimethylformamide / 1.) 0 deg.C, 30 min, 2.) 30 deg.C, 3 h

3: 1.) Mg / 1.) THF, reflux, 2.5 h, 2.) THF, reflux 3 h

4: 82 percent / pyridinium chlorochromate / CH₂Cl₂ / 36 h / 25 °C

5: 90 percent / tetrahydrofuran / 1.) -78 deg. C, 1 h, 2.) -78 - 0 deg.C, 1 h

6: 100 percent / phosphoryl chloride / CH₂Cl₂ / 1 h / 25 °C

7: 91 percent / H₂ / 10percent Pd/C / ethyl acetate / 48 h / 3102.9 Torr

8: 68 percent / DDQ / CH₂Cl₂ / 1 h

With sodium tetrahydroborate; aluminium trichloride; hydrogen; bromine; sodium hydride; magnesium; pyridinium chlorochromate; 2,3-dicyano-5,6-dichloro-p-benzoquinone; trichlorophosphate; palladium on activated charcoal; In tetrahydrofuran; dichloromethane; ethyl acetate; N,N-dimethyl-formamide;

DOI:10.1002/jhet.5570300631

upstream raw materials:

2-(((3',4'dimethoxyphenyl)methoxy)methyl)-6-(1'-methyl-1'-(5''-imidazolyl)methyl)toluene

3-bromo-2-methylbenzyl alcohol

2-methylphenyl aldehyde

2-((3',4'-dimethoxyphenyl)methoxy)methyl-6-bromotoluene

Downstream raw materials:

methyl 2-methyl-3-(1'-methyl-1'-(5''-imidazolyl)methyl)benzoate

2-methyl-3-(1'-methyl-1'-(5''-imidazolyl)methyl)benzoic acid

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 128366-50-7 3-Hydroxy MedetoMidine

Send

Send

Metric Ton KG G Pound L ML

Send

Send