4-(1-Methylethyl)-3-nitrobenzenemethanol

Base Information

• Chemical Name: 4-(1-Methylethyl)-3-nitrobenzenemethanol
• CAS No.: 130766-92-6
• Molecular Formula: C₁₀H₁₃NO₃
• Molecular Weight: 195.218
• DSSTox Substance ID: DTXSID901273960
• Mol file: 130766-92-6.mol

Synonyms:4-(1-Methylethyl)-3-nitrobenzenemethanol;SCHEMBL16960233;DTXSID901273960;130766-92-6

Chemical Property of 4-(1-Methylethyl)-3-nitrobenzenemethanol

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 195.08954328
• Heavy Atom Count: 14
• Complexity: 200

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)C1=C(C=C(C=C1)CO)[N+](=O)[O-]

Technology Process of 4-(1-Methylethyl)-3-nitrobenzenemethanol

There total 1 articles about 4-(1-Methylethyl)-3-nitrobenzenemethanol 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:

3-nitro-4-(1-methylethyl)benzaldehyde (130766-91-5) → 4-isopropyl-3-nitro-benzyl alcohol (130766-92-6)

Guidance literature:

With water; potassium carbonate;

Reference yield:

4-isopropyl-3-nitro-benzyl alcohol (130766-92-6) → 3-amino-4-(1-methylethyl)benzenemethanol (130766-93-7)

Guidance literature:

With hydrogen; palladium on activated charcoal; In tetrahydrofuran; under 1520 - 2280 Torr;

Reference yield:

4-isopropyl-3-nitro-benzyl alcohol (130766-92-6) → ethyl (Z)-3-<2-(1-methylethyl)-5-(hydroxymethyl)phenylamino>-butenoate (130766-94-8)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂ / 5percent Pd/C / tetrahydrofuran / 1520 - 2280 Torr

2: gl. acetic acid, CaSO₄ / methanol / Heating

With calcium sulfate; hydrogen; acetic acid; palladium on activated charcoal; In tetrahydrofuran; methanol;

upstream raw materials:

3-nitro-4-(1-methylethyl)benzaldehyde

Downstream raw materials:

4-isopropyl-3-nitrobenzoic acid

4-(α-hydroxy-isopropyl)-3-nitro-benzoic acid

3-amino-4-(1-methylethyl)benzenemethanol

ethyl (Z)-3-<2-(1-methylethyl)-5-(hydroxymethyl)phenylamino>-butenoate