2-[(Dimethylamino)methyl]-6-nitrophenol

Base Information

• Chemical Name: 2-[(Dimethylamino)methyl]-6-nitrophenol
• CAS No.: 69245-76-7
• Molecular Formula: C9H12N2O3
• Molecular Weight: 196.206
• DSSTox Substance ID: DTXSID90359014
• Nikkaji Number: J595.171B
• ChEMBL ID: CHEMBL1703115
• Mol file: 69245-76-7.mol

Synonyms:2-[(dimethylamino)methyl]-6-nitrophenol;69245-76-7;MLS000778080;CHEMBL1703115;DTXSID90359014;HMS2750D15;2-Dimethylaminomethyl-6-nitro-phenol;STK082082;AKOS005392700;SMR000414474

Chemical Property of 2-[(Dimethylamino)methyl]-6-nitrophenol

Chemical Property:

• PSA: 69.29000
• LogP: 1.88520
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 196.08479225
• Heavy Atom Count: 14
• Complexity: 203

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CC1=C(C(=CC=C1)[N+](=O)[O-])O

Technology Process of 2-[(Dimethylamino)methyl]-6-nitrophenol

There total 2 articles about 2-[(Dimethylamino)methyl]-6-nitrophenol 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: 96.0%

3-nitrosalicylic aldehyde (5274-70-4) + dimethyl amine (124-40-3) → 2-((dimethylamino)methyl)-6-nitrophenol (69245-76-7)

Guidance literature:

3-nitrosalicylic aldehyde; dimethyl amine; In tetrahydrofuran; 1,2-dichloro-ethane; for 0.25h;

With sodium diacetoxy(acetyl)boranuide; In tetrahydrofuran; 1,2-dichloro-ethane; at 20 ℃; for 4h;

DOI:10.1016/j.bmcl.2014.05.088

Reference yield:

→ 2-((dimethylamino)methyl)-6-nitrophenol (69245-76-7)

Guidance literature:

entspr. Phenol, CH2O, entspr. Amin;

Reference yield:

2-((dimethylamino)methyl)-6-nitrophenol (69245-76-7) → 2-amino-6-((dimethylamino)methyl)phenol

Guidance literature:

With platinum(IV) oxide; hydrogen; In methanol; at 23 ℃; for 10h;

DOI:10.1016/j.bmcl.2014.05.088

upstream raw materials:

3-nitrosalicylic aldehyde

dimethyl amine

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