Benzyl-(4-isopropyl-benzyl)-amine

Base Information

• Chemical Name: Benzyl-(4-isopropyl-benzyl)-amine
• CAS No.: 346700-52-5
• Molecular Formula: C17H21 N
• Molecular Weight: 239.36
• Hs Code.: 2921499090
• DSSTox Substance ID: DTXSID30361090
• Wikidata: Q82143225
• ChEMBL ID: CHEMBL1740973
• Mol file: 346700-52-5.mol

Synonyms:346700-52-5;Benzyl-(4-isopropyl-benzyl)-amine;benzyl-(4-isopropyl-benzyl)amine;N-Benzyl-1-(4-isopropylphenyl)methanamine;Benzyl-(4-isopropylbenzyl)amine;1-phenyl-N-[(4-propan-2-ylphenyl)methyl]methanamine;Oprea1_174745;Oprea1_846021;benzyl (4-isopropylbenzyl)amine;4-fluoro-1H-indol--methylamine;CHEMBL1740973;SCHEMBL16980542;DTXSID30361090;WNA70052;AKOS000225789;SB80644;FT-0644474;benzyl(([4-(propan-2-yl)phenyl]methyl))amine;J-019703;Z57327549;1-Phenyl-N-{[4-(propan-2-yl)phenyl]methyl}methanamine

Chemical Property of Benzyl-(4-isopropyl-benzyl)-amine

Chemical Property:

• Vapor Pressure: 5.97E-05mmHg at 25°C
• Boiling Point: 345.9°Cat760mmHg
• Flash Point: 155°C
• PSA: 12.03000
• Density: g/cm³
• LogP: 4.49070
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 239.167399674
• Heavy Atom Count: 18
• Complexity: 210

Purity/Quality:

97% ^*data from raw suppliers

Benzyl-(4-isopropyl-benzyl)-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=CC=C(C=C1)CNCC2=CC=CC=C2

Technology Process of Benzyl-(4-isopropyl-benzyl)-amine

There total 6 articles about Benzyl-(4-isopropyl-benzyl)-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:

N-(4-isopropylbenzylidene)(phenyl)methanamine → N-benzyl-1-(4-isopropylphenyl)methanamine (346700-52-5)

Guidance literature:

With sodium tetrahydroborate; In methanol; for 12h;

DOI:10.1021/ml3004236

Reference yield:

N-(4-isopropylbenzylidene)(phenyl)methanamine + carbon dioxide (124-38-9,18923-20-1) → N-benzyl-1-(4-isopropylphenyl)methanamine (346700-52-5) + C18H21NO2 (1218718-32-1) + C34H40N2 (1402136-57-5) + C34H40N2

Guidance literature:

N-(4-isopropylbenzylidene)(phenyl)methanamine; carbon dioxide; With samarium diiodide; In tetrahydrofuran; at 20 ℃; for 16h; under 37503.8 Torr; Autoclave;

With trifluoroacetic acid; In tetrahydrofuran; water;

DOI:10.1002/ejoc.201200440

Reference yield:

(Z)-N-(4-isopropylbenzylidene)-1-phenylmethanamine oxide → N-benzyl-1-(4-isopropylphenyl)methanamine (346700-52-5) + C34H40N2 (1402136-57-5) + C34H40N2

Guidance literature:

(Z)-N-(4-isopropylbenzylidene)-1-phenylmethanamine oxide; With samarium diiodide; carbon dioxide; In tetrahydrofuran; at -78 - 20 ℃;

With trifluoroacetic acid; In tetrahydrofuran; water;

DOI:10.1002/ejoc.201200440

upstream raw materials:

carbon dioxide

(4-isopropylbenzaldehyde)

benzylamine