2-(2,2-Dimethoxyethyl)aniline

Base Information

• Chemical Name: 2-(2,2-Dimethoxyethyl)aniline
• CAS No.: 150760-45-5
• Molecular Formula: C10H15 N O2
• Molecular Weight: 181.235
• Hs Code.: 2922199090
• DSSTox Substance ID: DTXSID50451664
• Nikkaji Number: J913.472G
• Wikidata: Q82271788
• Mol file: 150760-45-5.mol

Synonyms:2-(2,2-dimethoxyethyl)aniline;150760-45-5;2-(2,2-DIMETHOXYETHYL) BENZAMINE;Benzenamine, 2-(2,2-dimethoxyethyl)-;2-(2,2-DIMETHOXYETHYL)BENZAMINE;SCHEMBL588658;DTXSID50451664;AMY19082;MFCD09833913;AKOS006326851;HE-0069;FT-0682023;H11772;J-505439

Chemical Property of 2-(2,2-Dimethoxyethyl)aniline

Chemical Property:

• Vapor Pressure: 0.0122mmHg at 25°C
• Refractive Index: 1.53
• Boiling Point: 260.5°C at 760 mmHg
• PKA: 4.24±0.10(Predicted)
• Flash Point: 120.3°C
• PSA: 44.48000
• Density: 1.062g/cm³
• LogP: 2.01140
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 181.110278721
• Heavy Atom Count: 13
• Complexity: 137

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-(2,2-dimethoxyethyl)aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(CC1=CC=CC=C1N)OC

Technology Process of 2-(2,2-Dimethoxyethyl)aniline

There total 9 articles about 2-(2,2-Dimethoxyethyl)aniline 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: 100.0%

2-(2-nitrophenyl)acetaldehyde dimethyl acetal (79844-33-0) → 2-(2,2-dimethoxyethyl)-benzeneamine (150760-45-5)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; at 20 ℃; under 1034.3 - 2585.74 Torr;

DOI:10.1016/S0040-4020(03)00973-6

Reference yield:

trans-2-nitro-β-pyrrolidinostyrene (32989-69-8) → 2-(2,2-dimethoxyethyl)-benzeneamine (150760-45-5)

Guidance literature:

Multi-step reaction with 2 steps

1: chlorotrimethylsilane / 36 h / Heating

2: 93 percent / H₂ / Pd/C / methanol / 760.05 Torr

With chloro-trimethyl-silane; hydrogen; palladium on activated charcoal; In methanol;

DOI:10.1021/ol701446y

Reference yield:

1-methyl-2-nitrobenzene (88-72-2) → 2-(2,2-dimethoxyethyl)-benzeneamine (150760-45-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 74 percent / CSA / methanol

2: 97 percent / hydrogen / 10 percent Pd on carbon / 760 Torr

With camphor-10-sulfonic acid; hydrogen; palladium on activated charcoal; In methanol;

DOI:10.1016/S0040-4039(03)01040-2

upstream raw materials:

2-(2-nitrophenyl)acetaldehyde dimethyl acetal

trans-2-nitro-β-pyrrolidinostyrene

1-methyl-2-nitrobenzene

(2-nitrophenyl)acetaldehyde

Downstream raw materials:

1-Indol-1-yl-5-phenyl-pentan-1-one

N-[2-(2,2-Dimethoxy-ethyl)-phenyl]-4-(4-methoxy-phenoxy)-butyramide

(E)-N-[2-(2,2-Dimethoxy-ethyl)-phenyl]-3-phenyl-acrylamide

1-(1-Benzyl-piperidin-4-yl)-1H-indole