2-(2-Methyl-2-nitropropyl)phenol

Base Information

• Chemical Name: 2-(2-Methyl-2-nitropropyl)phenol
• CAS No.: 306993-72-6
• Molecular Formula: C10H13NO3
• Molecular Weight: 195.218
• Hs Code.: 2908999090
• DSSTox Substance ID: DTXSID00565422
• Wikidata: Q82450511
• Mol file: 306993-72-6.mol

Synonyms:2-(2-methyl-2-nitropropyl)phenol;306993-72-6;SCHEMBL8492672;DTXSID00565422;AKOS022171483

Chemical Property of 2-(2-Methyl-2-nitropropyl)phenol

Chemical Property:

• PSA: 66.05000
• LogP: 2.51320
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 195.08954328
• Heavy Atom Count: 14
• Complexity: 210

Purity/Quality:

≥95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(CC1=CC=CC=C1O)[N+](=O)[O-]

Technology Process of 2-(2-Methyl-2-nitropropyl)phenol

There total 2 articles about 2-(2-Methyl-2-nitropropyl)phenol 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: 53.0%

2-nitropropane (79-46-9) + 2-(1H-1,2,3-benzotriazol-1-ylmethyl)phenol (132980-32-6) → o-(β-Nitro-β-methylpropyl)-phenol (306993-72-6)

Guidance literature:

With sodium isopropylate; In isopropyl alcohol; for 40h; Heating;

DOI:10.1021/jo00086a050

Reference yield:

→ o-(β-Nitro-β-methylpropyl)-phenol (306993-72-6)

Guidance literature:

o-Hydroxybenzylalkohol, 2-Nitropropan, Et3N, 8-stdg. Erwaermen bei 100grad;

Reference yield:

o-(β-Nitro-β-methylpropyl)-phenol (306993-72-6) → C10H15NO (1378866-50-2)

Guidance literature:

With hydrogen; Raney-Ni; In methanol; water; for 15h; under 760.051 Torr;

upstream raw materials:

2-nitropropane

2-(1H-1,2,3-benzotriazol-1-ylmethyl)phenol

Downstream raw materials:

C₁₀H₁₅NO

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