Benzeneethanamine, 3,4-dimethoxy-N-((4-methyl-3-nitrophenyl)methyl)-

Base Information

• Chemical Name: Benzeneethanamine, 3,4-dimethoxy-N-((4-methyl-3-nitrophenyl)methyl)-
• CAS No.: 74101-70-5
• Molecular Formula: C₁₈H₂₂N₂O₄
• Molecular Weight: 330.384
• DSSTox Substance ID: DTXSID90225048
• Wikidata: Q83103943
• Mol file: 74101-70-5.mol

Synonyms:BRN 2889338;Benzeneethanamine, 3,4-dimethoxy-N-((4-methyl-3-nitrophenyl)methyl)-;2-Methyl-5-(beta-(3',4'-dimethoxyphenylethylamino)methyl)nitrobenzene;74101-70-5;DTXSID90225048;LS-30120

Chemical Property of Benzeneethanamine, 3,4-dimethoxy-N-((4-methyl-3-nitrophenyl)methyl)-

Chemical Property:

• Vapor Pressure: 3.02E-09mmHg at 25°C
• Boiling Point: 476.6°Cat760mmHg
• Flash Point: 242°C
• Density: 1.161g/cm³
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 330.15795719
• Heavy Atom Count: 24
• Complexity: 388

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)CNCCC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-]

Technology Process of Benzeneethanamine, 3,4-dimethoxy-N-((4-methyl-3-nitrophenyl)methyl)-

There total 2 articles about Benzeneethanamine, 3,4-dimethoxy-N-((4-methyl-3-nitrophenyl)methyl)- 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:

(4-Methyl-3-nitro-phenyl)-methanol (40870-59-5) → 2-Methyl-5-<β-(3',4'-dimethoxy-phenylethylamino)-methyl>-nitrobenzol (74101-70-5)

Guidance literature:

Multi-step reaction with 2 steps

1: PBr₃ / benzene

2: benzene

With phosphorus tribromide; In benzene;

Reference yield:

4-bromomethyl-1-methyl-2-nitro-benzene (74101-68-1) + 2-(3,4-dimethoxyphenyl)-ethylamine (120-20-7) → 2-Methyl-5-<β-(3',4'-dimethoxy-phenylethylamino)-methyl>-nitrobenzol (74101-70-5)

Guidance literature:

In benzene;

Reference yield:

2-Methyl-5-<β-(3',4'-dimethoxy-phenylethylamino)-methyl>-nitrobenzol (74101-70-5) → 2-Methyl-5-<β-(N'-acetyl-3',4'-dimethoxy-phenylethylamino)-methyl>-anilin (74101-73-8)

Guidance literature:

Multi-step reaction with 2 steps

2: H₂ / Pd-C / ethanol

With hydrogen; palladium on activated charcoal; In ethanol;

upstream raw materials:

4-bromomethyl-1-methyl-2-nitro-benzene

2-(3,4-dimethoxyphenyl)-ethylamine

(4-Methyl-3-nitro-phenyl)-methanol

Downstream raw materials:

2-Methyl-5-(-methyl)-nitrobenzol

2-Methyl-5-<β-(N'-acetyl-3',4'-dimethoxy-phenylethylamino)-methyl>-anilin