1-Dimethylamino-3-phenylpropane

Base Information

• Chemical Name: 1-Dimethylamino-3-phenylpropane
• CAS No.: 1199-99-1
• Molecular Formula: C11H17 N
• Molecular Weight: 163.263
• Hs Code.: 2921499090
• DSSTox Substance ID: DTXSID10152620
• Nikkaji Number: J259.679B
• Wikidata: Q83019312
• ChEMBL ID: CHEMBL289199
• Mol file: 1199-99-1.mol

Synonyms:1-dimethylamino-3-phenylpropane

Chemical Property of 1-Dimethylamino-3-phenylpropane

Chemical Property:

• Vapor Pressure: 0.0816mmHg at 25°C
• Refractive Index: 1.508
• Boiling Point: 226.5°Cat760mmHg
• Flash Point: 82.6°C
• PSA: 3.24000
• Density: 0.911g/cm³
• LogP: 2.18080
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 163.136099547
• Heavy Atom Count: 12
• Complexity: 104

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CCCC1=CC=CC=C1

Technology Process of 1-Dimethylamino-3-phenylpropane

There total 63 articles about 1-Dimethylamino-3-phenylpropane 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: 92.0%

3-Phenyl-1-propanol (122-97-4) + dimethyl amine (124-40-3) → N,N-dimethyl-3-phenylpropylamine (1199-99-1)

Guidance literature:

With C₁₉H₃₂Cl₂IrN₂; potassium carbonate; In water; at 120 ℃; for 40h; Sealed tube; Green chemistry;

DOI:10.1021/acs.joc.0c02896

Reference yield: 92.0%

3-phenylpropanol methanesulfonate (69804-99-5) + lithium dimethylamino borohydride → N,N-dimethyl-3-phenylpropylamine (1199-99-1)

Guidance literature:

3-phenylpropanol methanesulfonate; lithium dimethylamino borohydride; In tetrahydrofuran; at 25 ℃; for 0.5h;

With hydrogenchloride; In tetrahydrofuran; methanol; at 65 ℃; for 5h; Further stages.;

DOI:10.1021/ol0167659

Reference yield: 90.0%

3-phenyl-propionaldehyde (104-53-0) + dimethyl amine (124-40-3) → N,N-dimethyl-3-phenylpropylamine (1199-99-1)

Guidance literature:

3-phenyl-propionaldehyde; dimethyl amine; With titanium(IV) isopropylate; In methanol; at 20 ℃;

With sodium tetrahydroborate; In methanol; at 20 ℃; for 1.5h;

DOI:10.1080/00397910008087249

upstream raw materials:

formaldehyd

3-Phenylpropan-1-amine

1-methyl-4-nitrosobenzene

N,N-dimethyl-3-phenyl-2-propyn-1-amine

Downstream raw materials:

methyl-(3-phenyl-propyl)-carbamonitrile

Trimethyl-(3-phenylpropyl)ammonium bromide

(3-cyclohexyl-propyl)-dimethyl-amine

dihydrocinnamonitrile

Refernces

• 1、 Lichtin, D. A.,Squire, D. W.,Winnik, M. A.,Bernstein, R. B.. "Miltiphoton Ionization Mass Spectrometric Studies of a Bichromophoric Molecule: 3-Phenyl-1-(N,N-dimethylamino)propane". . p. 2109 - 2117. Retrieved 1983.
• 2、 Marshall, James R.,Yao, Peiyuan,Montgomery, Sarah L.,Finnigan, James D.,Thorpe, Thomas W.,Palmer, Ryan B.,Mangas-Sanchez, Juan,Duncan, Richard A. M.,Heath, Rachel S.,Graham, Kirsty M.,Cook, Darren J.,Charnock, Simon J.,Turner, Nicholas J.. "Screening and characterization of a diverse panel of metagenomic imine reductases for biocatalytic reductive amination". . p. 140 - 148. Retrieved 2021.
• 3、 Jeong, Jaeyoung,Fujita, Ken-Ichi. "Dimethylamination of Primary Alcohols Using a Homogeneous Iridium Catalyst: A Synthetic Method for N, N-Dimethylamine Derivatives". . p. 4053 - 4060. Retrieved 2021/03/09.