N,N-dipropyl-2-methyl-3-nitrophenylethanamine

Base Information

• Chemical Name: N,N-dipropyl-2-methyl-3-nitrophenylethanamine
• CAS No.: 91374-23-1
• Molecular Formula: C15H24N2O2
• Molecular Weight: 264.368
• Hs Code.: 2921199090
• European Community (EC) Number: 618-738-2
• DSSTox Substance ID: DTXSID30536201
• Nikkaji Number: J3.300.271H
• Wikidata: Q72469474
• Mol file: 91374-23-1.mol

Synonyms:91374-23-1;N,N-dipropyl-2-methyl-3-nitrophenylethanamine;N-(2-methyl-3-nitrophenethyl)-N-propylpropan-1-amine;N-[2-(2-methyl-3-nitrophenyl)ethyl]-N-propylpropan-1-amine;N,N-Dipropyl-2-(2-methyl-3-nitrophenyl)ethylamine;[2-(2-Methyl-3-nitro-phenyl)-ethyl]-dipropyl-amine;D(+)-Cellobioseoctaacetate;SCHEMBL3841214;DTXSID30536201;YTNVHUSMDIAWLT-UHFFFAOYSA-N;BCP22606;AKOS015890002;AC-8257;AM20041397;[2-(2-methyl-3-nitrophenyl)ethyl]dipropylamine;2-(2-methyl-3-nitro-phenyl)ethyl-dipropyl-amine;Q-102411;2-Methyl-3-nitro-N,N-di-n-propyl phenyl ethyl amine;2-Methyl-3-nitro-N, N-Di-n-propyl phenyl ethyl amine;2-Methyl-3-nitrophenylethyl-N,N-di-n-propyl ammoniumoxalate(Free base)

Chemical Property of N,N-dipropyl-2-methyl-3-nitrophenylethanamine

Chemical Property:

• Vapor Pressure: 8.73E-06mmHg at 25°C
• Refractive Index: 1.525
• Boiling Point: 373.812 °C at 760 mmHg
• PKA: 9.30±0.50(Predicted)
• Flash Point: 179.875 °C
• PSA: 49.06000
• Density: 1.029 g/cm³
• LogP: 4.09090
• Storage Temp.: Refrigerator
• Solubility.: Chloroform, Methanol (Slightly)
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 264.183778013
• Heavy Atom Count: 19
• Complexity: 259

Purity/Quality:

99% ^*data from raw suppliers

N,N-Dipropyl-2-(2-methyl-3-nitrophenyl)ethylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCN(CCC)CCC1=C(C(=CC=C1)[N+](=O)[O-])C
• Uses: N,N-Dipropyl-2-(2-methyl-3-nitrophenyl)ethylamine is an intermediate used to prepare 4-[2-(Di-n-propylamino)ethyl]-2(3H)-indolone and related compounds as?a prejunctional dopamine receptor agonist.

Technology Process of N,N-dipropyl-2-methyl-3-nitrophenylethanamine

There total 9 articles about N,N-dipropyl-2-methyl-3-nitrophenylethanamine 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: 83.0%

2-(2-methyl-3-nitro-phenyl)-N,N-di-n-propylacetamide (91374-22-0) → 1-(2-dipropylaminoethyl)-2-methyl-3-nitrobenzene (91374-23-1)

Guidance literature:

With tetrahydrofuran; borane; for 1h; Heating;

DOI:10.1021/jm00156a010

Reference yield:

2-methyl-3-nitro phenylethyl tosylate + di-n-propylamine (142-84-7) → 1-(2-dipropylaminoethyl)-2-methyl-3-nitrobenzene (91374-23-1)

Guidance literature:

In water; at 60 - 90 ℃; for 8 - 12h;

Reference yield:

2-(3-nitro-2-methylphenyl)acetic acid (23876-15-5) → 1-(2-dipropylaminoethyl)-2-methyl-3-nitrobenzene (91374-23-1)

Guidance literature:

Multi-step reaction with 3 steps

1: SOCl₂

2: Na₂CO₃ / toluene; H₂O / 1.5 h / 10 - 20 °C

3: 83 percent / borane/THF / 1 h / Heating

With tetrahydrofuran; thionyl chloride; borane; sodium carbonate; In water; toluene;

DOI:10.1021/jm00156a010

upstream raw materials:

2-(2-methyl-3-nitro-phenyl)-N,N-di-n-propylacetamide

2-methyl-3-nitrobenzic acid

(2-methyl-3-nitrophenyl)methanol

2-(3-nitro-2-methylphenyl)acetic acid

Downstream raw materials:

ethyl 6-[2-(di-n-propylamino)ethyl]-2-nitrophenyl pyruvate

2-methyl-3-nitro-N,N-di-n-propyl phenylethylammonium oxalate

<2-nitro-6-<2-(N,N-di-n-propylamino)ethyl>phenyl>acetic acid hydrochloride

2-nitro-6-<2-(di-n-propylamino)ethyl>phenylacetic acid