4-(2,2-Dimethoxyethyl)aniline

Base Information

• Chemical Name: 4-(2,2-Dimethoxyethyl)aniline
• CAS No.: 392630-73-8
• Molecular Formula: C10H15NO2
• Molecular Weight: 181.235
• Hs Code.: 2922199090
• DSSTox Substance ID: DTXSID90592560
• Wikidata: Q82486733
• Mol file: 392630-73-8.mol

Synonyms:4-(2,2-Dimethoxyethyl)aniline;392630-73-8;4-(2,2-Dimethoxy-ethyl)-phenylamine;SCHEMBL7091756;DTXSID90592560;MFCD09878881;AKOS006311408;SB36996;DB-331519;CS-0341037

Chemical Property of 4-(2,2-Dimethoxyethyl)aniline

Chemical Property:

• PSA: 44.48000
• LogP: 2.01140
• Storage Temp.: 2-8°C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 181.110278721
• Heavy Atom Count: 13
• Complexity: 129

Purity/Quality:

97% ^*data from raw suppliers

4-(2,2-Dimethoxy-ethyl)-phenylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(CC1=CC=C(C=C1)N)OC

Technology Process of 4-(2,2-Dimethoxyethyl)aniline

There total 2 articles about 4-(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: 76.0%

1-(2,2-Dimethoxyethyl)-4-nitro-benzene (18436-62-9) → 4-(2,2-dimethoxyethyl)aniline (392630-73-8)

Guidance literature:

With ammonium formate; palladium on activated charcoal; In ethanol;

DOI:10.1016/S0960-894X(01)00645-X

Reference yield:

p-nitrophenylacetaldehyde (1460-05-5) → 4-(2,2-dimethoxyethyl)aniline (392630-73-8)

Guidance literature:

Multi-step reaction with 2 steps

1: PTSA / methanol

2: 76 percent / ammonium formate / Pd/C / ethanol

With ammonium formate; toluene-4-sulfonic acid; palladium on activated charcoal; In methanol; ethanol;

DOI:10.1016/S0960-894X(01)00645-X

Reference yield: 90.0%

1-phenylmethyl-4-piperidone (3612-20-2) + 4-(2,2-dimethoxyethyl)aniline (392630-73-8) → 1-Benzyl-N-[4-(2,2-dimethoxyethyl)phenyl]-4-piperidinamine (392630-77-2)

Guidance literature:

With sodium tris(acetoxy)borohydride; acetic acid; sodium sulfate;

DOI:10.1016/S0960-894X(01)00645-X

upstream raw materials:

1-(2,2-Dimethoxyethyl)-4-nitro-benzene

p-nitrophenylacetaldehyde

Downstream raw materials:

1-Benzyl-N-[4-(2,2-dimethoxyethyl)phenyl]-4-piperidinamine

N-[4-(2,2-dimethoxyethyl)phenyl]-4-piperidinamine

N-(5-{[4-(4-{2-[((2R)-2-hydroxy-2-{4-hydroxy-3-[(methylsulfonyl)amino]phenyl}-ethyl)amino]ethyl}anilino)piperidin-1-yl]sulfonyl}-4-methyl-1,3-thiazol-2-yl)acetamide