(1-isopropyl-1H-imidazol-2-yl)methanol

Base Information

• Chemical Name: (1-isopropyl-1H-imidazol-2-yl)methanol
• CAS No.: 135205-82-2
• Molecular Formula: C7H12N2O
• Molecular Weight: 140.185
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID50434795
• Wikidata: Q82249307
• Mol file: 135205-82-2.mol

Synonyms:135205-82-2;(1-isopropyl-1H-imidazol-2-yl)methanol;[1-(propan-2-yl)-1H-imidazol-2-yl]methanol;(1-propan-2-ylimidazol-2-yl)methanol;(1-isopropyl-1H-imidazol-2-yl)methanol(SALTDATA: FREE);F2101-0173;SCHEMBL5654711;DTXSID50434795;MFCD11108594;AKOS000275592;AM92015;BS-36848;(1-Isopropyl-1H-imidazol-2-yl)-methanol;BB 0219733;EN300-48614;J-006667;Z566199922

Chemical Property of (1-isopropyl-1H-imidazol-2-yl)methanol

Chemical Property:

• PSA: 38.05000
• LogP: 0.95630
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 140.094963011
• Heavy Atom Count: 10
• Complexity: 106

Purity/Quality:

NLT 98% ^*data from raw suppliers

[1-(propan-2-yl)-1H-imidazol-2-yl]methanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)N1C=CN=C1CO

Technology Process of (1-isopropyl-1H-imidazol-2-yl)methanol

There total 1 articles about (1-isopropyl-1H-imidazol-2-yl)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: 87.0%

N-isopropyl-1H-imidazole-2-carboxaldehyde (53332-64-2) → (1-isopropyl-1H-imidazol-2-yl)methanol (135205-82-2)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; cooling;

DOI:10.1016/j.bmc.2004.10.021

Reference yield: 97.0%

(1-isopropyl-1H-imidazol-2-yl)methanol (135205-82-2) + 4-aminotiophenol (1193-02-8) → 4-{[(1-isopropyl-1H-imidazol-5-yl)methyl]sulfanyl}aniline (497851-79-3)

Guidance literature:

(1-isopropyl-1H-imidazol-2-yl)methanol; With thionyl chloride; N,N-dimethyl-formamide; In chloroform; at 0 - 20 ℃;

4-aminotiophenol; With sodium hydroxide; In methanol; water; at 0 - 20 ℃;

DOI:10.1016/j.bmc.2004.10.021

Reference yield:

(1-isopropyl-1H-imidazol-2-yl)methanol (135205-82-2) → 7-{4-[2-(butoxy)ethoxy]phenyl}-1-isobutyl-N-({4-[(1-isopropyl-1H-imidazol-2-yl)methyl]sulfanyl}phenyl)-2,3-dihydro-1H-1-benzazepine-4-carboxamide (497850-17-6)

Guidance literature:

Multi-step reaction with 2 steps

1.1: SOCl₂; DMF / CHCl₃ / 0 - 20 °C

1.2: 97 percent / NaOH / methanol; H₂O / 0 - 20 °C

2.1: Et₃N / tetrahydrofuran / 0 - 20 °C

With thionyl chloride; triethylamine; N,N-dimethyl-formamide; In tetrahydrofuran; chloroform;

DOI:10.1016/j.bmc.2004.10.021

upstream raw materials:

N-isopropyl-1H-imidazole-2-carboxaldehyde

Downstream raw materials:

4-{[(1-isopropyl-1H-imidazol-5-yl)methyl]sulfanyl}aniline

7-{4-[2-(butoxy)ethoxy]phenyl}-1-isobutyl-N-({4-[(1-isopropyl-1H-imidazol-2-yl)methyl]sulfanyl}phenyl)-2,3-dihydro-1H-1-benzazepine-4-carboxamide

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