(Propan-2-yl)({[4-(propan-2-yl)phenyl]methyl})amine

Base Information

• Chemical Name: (Propan-2-yl)({[4-(propan-2-yl)phenyl]methyl})amine
• CAS No.: 4395-74-8
• Molecular Formula: C₁₃H₂₁N
• Molecular Weight: 191.316
• DSSTox Substance ID: DTXSID701275522
• Mol file: 4395-74-8.mol

Synonyms:4395-74-8;(Propan-2-yl)({[4-(propan-2-yl)phenyl]methyl})amine;N-(4-Isopropylbenzyl)propan-2-amine;starbld0047393;SCHEMBL14438280;DTXSID701275522;MFCD08757665;AKOS000228516;MCULE-2401518062;N,4-Bis(1-methylethyl)benzenemethanamine;N-[(4-propan-2-ylphenyl)methyl]propan-2-amine;propan-2-yl({[4-(propan-2-yl)phenyl]methyl})amine

Chemical Property of (Propan-2-yl)({[4-(propan-2-yl)phenyl]methyl})amine

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 191.167399674
• Heavy Atom Count: 14
• Complexity: 143

Purity/Quality:

99% ^*data from raw suppliers

(Propan-2-yl)({[4-(propan-2-yl)phenyl]methyl})amine 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)C1=CC=C(C=C1)CNC(C)C

Technology Process of (Propan-2-yl)({[4-(propan-2-yl)phenyl]methyl})amine

There total 2 articles about (Propan-2-yl)({[4-(propan-2-yl)phenyl]methyl})amine 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: 87.0%

→ N-(4-isopropylbenzyl)propan-2-amine (4395-74-8)

Guidance literature:

In methanol; at 20 ℃;

With methanol; sodium tetrahydroborate; at 20 ℃;

Reference yield:

isopropylamine (75-31-0) + (4-isopropylbenzaldehyde) (122-03-2) → N-(4-isopropylbenzyl)propan-2-amine (4395-74-8)

Guidance literature:

isopropylamine; (4-isopropylbenzaldehyde); In methanol; at 20 ℃; Inert atmosphere;

With sodium tetrahydroborate; In methanol; Inert atmosphere;

DOI:10.1021/acs.jmedchem.1c00046

Reference yield: 98.0%

N-(4-isopropylbenzyl)propan-2-amine (4395-74-8) + (R)-1-Boc-nipecotic acid (163438-09-3) → tert-butyl (R)-3-(isopropyl(4-isopropylbenzyl)carbamoyl)-piperidine-1-carboxylate

Guidance literature:

With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In dichloromethane; at 0 - 20 ℃;

DOI:10.1021/acs.jmedchem.1c00742

upstream raw materials:

isopropylamine

(4-isopropylbenzaldehyde)

Downstream raw materials:

dichloro-acetic acid-[isopropyl-(4-isopropyl-benzyl)-amide]