2,6-Dimethyl-4-(propan-2-yl)aniline

Base Information

• Chemical Name: 2,6-Dimethyl-4-(propan-2-yl)aniline
• CAS No.: 42014-59-5
• Molecular Formula: C11H17N
• Molecular Weight: 163.263
• Hs Code.: 2921430090
• DSSTox Substance ID: DTXSID60573169
• Wikidata: Q82461769
• Mol file: 42014-59-5.mol

Synonyms:42014-59-5;2,6-Dimethyl-4-(propan-2-yl)aniline;Benzenamine, 2,6-dimethyl-4-(1-methylethyl)- (9CI);4-Isopropyl-2,6-dimethylaniline;2,6-dimethyl-4-propan-2-ylaniline;SCHEMBL1183197;DTXSID60573169;EN300-150077

Chemical Property of 2,6-Dimethyl-4-(propan-2-yl)aniline

Chemical Property:

• PSA: 26.02000
• LogP: 3.59020
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 163.136099547
• Heavy Atom Count: 12
• Complexity: 130

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1N)C)C(C)C

Technology Process of 2,6-Dimethyl-4-(propan-2-yl)aniline

There total 4 articles about 2,6-Dimethyl-4-(propan-2-yl)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: 12.0%

3,5-dimethylcumene (4706-90-5) → C11H17N + 2,6-dimethyl-4-(2-propyl)benzenamine (42014-59-5)

Guidance literature:

3,5-dimethylcumene; With nitric acid; acetic anhydride; acetic acid; for 2h;

With calcium(II) chloride dihydrate; zinc; In ethanol; water; at 75 ℃; for 16h;

DOI:10.1002/chem.201504404

Reference yield:

3,5-dimethylcumene (4706-90-5) → 2,6-dimethyl-4-(2-propyl)benzenamine (42014-59-5)

Guidance literature:

Multistep reaction; (i) NO₂/HNO₃, Ac₂O, AcOH, (ii) Sn, aq. HCl;

DOI:10.1016/S0040-4020(01)99381-0

Reference yield:

isopropyl alcohol (67-63-0,8013-70-5) + 2,6-dimethylaniline (87-62-7) → 2,6-dimethyl-4-(2-propyl)benzenamine (42014-59-5)

Guidance literature:

With zinc(II) chloride;

DOI:10.1021/ja01630a002

upstream raw materials:

isopropyl alcohol

2,6-dimethylaniline

3,5-dimethylcumene

Downstream raw materials:

2,6-Dimethyl-p-benzochinon-4-(4'-isopropyl-2',6'-dimethyl)-anil

2-bromo-5-isopropyl-1,3-dimethyl-benzene

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