4-(2,2-Dimethyl-propyl)-phenylamine

Base Information

• Chemical Name: 4-(2,2-Dimethyl-propyl)-phenylamine
• CAS No.: 27856-10-6
• Molecular Formula: C11H17N
• Molecular Weight: 163.263
• DSSTox Substance ID: DTXSID50591094
• Nikkaji Number: J539.696D
• Wikidata: Q82484755

Synonyms:27856-10-6;4-(2,2-Dimethyl-propyl)-phenylamine;SCHEMBL861221;4-(2,2-Dimethylpropyl)aniline;DTXSID50591094;YRRMDWNTOXPPCU-UHFFFAOYSA-N

Chemical Property of 4-(2,2-Dimethyl-propyl)-phenylamine

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 163.136099547
• Heavy Atom Count: 12
• Complexity: 126

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-(2,2-Dimethyl-propyl)-phenylamine

There total 3 articles about 4-(2,2-Dimethyl-propyl)-phenylamine 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: 46.0%

1-(2,2-dimethylpropyl)-4-nitrobenzene (26110-96-3) → 4-(2,2-dimethyl-propyl)-phenylamine (27856-10-6)

Guidance literature:

With hydrogen; palladium dihydroxide; In ethanol; under 760.051 Torr;

Reference yield: 46.0%

1-(2,2-dimethylpropyl)-4-nitrobenzene (26110-96-3) + 1-(2,2-dimethyl-propyl)-2-nitro-benzene (865471-98-3) → 4-(2,2-dimethyl-propyl)-phenylamine (27856-10-6) + 2-(2,2-dimethyl-propyl)-phenylamine (73526-82-6)

Guidance literature:

With hydrogen; palladium dihydroxide; In ethanol; water; under 760.051 Torr;

Reference yield:

(2,2-dimethyl-1-propyl)benzene (1007-26-7) → 4-(2,2-dimethyl-propyl)-phenylamine (27856-10-6)

Guidance literature:

Multistep reaction; (i) HNO₃, H₂SO₄, (ii) H₂, Raney-Ni;

DOI:10.1021/ja00881a013

upstream raw materials:

1-(2,2-dimethylpropyl)-4-nitrobenzene

(2,2-dimethyl-1-propyl)benzene

1-(2,2-dimethyl-propyl)-2-nitro-benzene

Downstream raw materials:

N-(4-neopentylphenyl)acetamide

3-bromo-N-[4-(2,2-dimethyl-propyl)-phenyl]-propionamide

3-[4-(2,2-dimethyl-propyl)-phenylamino]-propionic acid ethyl ester

3-[[4-(2,2-dimethyl-propyl)-phenyl]-(2-ethoxycarbonyl-ethyl)-amino]-propionic acid ethyl ester

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