Dibenamine

Base Information

• Chemical Name: Dibenamine
• CAS No.: 51-50-3
• Molecular Formula: C16H18 Cl N
• Molecular Weight: 259.779
• Hs Code.: 2921499090
• UNII: 43EXU2S56H
• DSSTox Substance ID: DTXSID20199001
• Nikkaji Number: J10.688G
• Wikidata: Q27258645
• ChEMBL ID: CHEMBL3305685
• Mol file: 51-50-3.mol

Synonyms:Chlorethylamine, Dibenzyl;Dibenamine;Dibenzyl Chlorethylamine;Dibenzylchlorethamine

Chemical Property of Dibenamine

Chemical Property:

• Melting Point: 192 °C
• Refractive Index: 1.6000 (estimate)
• Boiling Point: 320°Cat760mmHg
• PKA: 6.50±0.50(Predicted)
• Flash Point: 147.3°C
• PSA: 3.24000
• Density: 1.107g/cm³
• LogP: 3.92760
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 259.1127773
• Heavy Atom Count: 18
• Complexity: 187

Purity/Quality:

98%min ^*data from raw suppliers

DIBENAMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: Poison by intravenous and intraperitoneal routes. Moderately toxic b"> − and NOx. See also AROMATIC AMINES." target="_blank">Poison by intravenous and intraperitoneal routes. Moderately toxic b

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN(CCCl)CC2=CC=CC=C2

Technology Process of Dibenamine

There total 10 articles about Dibenamine 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: 99.5%

N-(2-chloroethyl)dibenzylamine hydrochloride (55-43-6) → N,N-dibenzyl-2-chloroethanamine (51-50-3)

Guidance literature:

With sodium hydroxide; In water; ethyl acetate;

DOI:10.1021/jm900972u

Reference yield: 99.0%

1-(N,N-dibenzylamino)-2-iodoethane (109651-07-2) → N,N-dibenzyl-2-chloroethanamine (51-50-3)

Guidance literature:

With carbon dioxide; silver(I) chloride; In methanol; acetonitrile; at 20 ℃; for 16h;

DOI:10.1039/c3ra23281f

Reference yield: 78.0%

N,N-dibenzyl-2-aminoethanol (101-06-4) → N,N-dibenzyl-2-chloroethanamine (51-50-3)

Guidance literature:

With thionyl chloride; In dichloromethane; at 20 ℃; for 16h; Inert atmosphere;

DOI:10.1002/ejoc.201301536

upstream raw materials:

N,N-dibenzyl-2-aminoethanol

benzyl chloride

chloroethylamine

chloroacetic acid

Downstream raw materials:

SKF 1037C

ethanol

5-(dibenzylamino)pentan-2-one

1-Phenyl-cyclopentan-1-carbonsaeure-(2-dibenzylamino-aethylester)

Refernces

• 1、 Drouillat, Bruno,D'Aboville, Edouard,Bourdreux, Flavien,Couty, Francois. "Synthesis of 2-phenyl- and 2,2-diarylpyrrolidines through Stevens rearrangement performed on azetidinium ions". supporting information. p. 1103 - 1109. Retrieved 2014/03/21.
• 2、 Tunbridge, Gemma A.,Baruchello, Riccardo,Caggiano, Lorenzo. "Mild and efficient capture and functionalisation of CO2 using silver(i) oxide and application to 13C-labelled dialkyl carbonates". . p. 4613 - 4621. Retrieved 2013/05/08.