N-Phenylethylenediamine

Base Information

• Chemical Name: N-Phenylethylenediamine
• CAS No.: 1664-40-0
• Molecular Formula: C8H12N2
• Molecular Weight: 136.197
• Hs Code.: 29212900
• European Community (EC) Number: 216-773-4
• NSC Number: 84247
• DSSTox Substance ID: DTXSID1061861
• Nikkaji Number: J141D
• Wikidata: Q72436635
• Mol file: 1664-40-0.mol

Synonyms:N-Phenylethylenediamine;1664-40-0;N1-Phenylethane-1,2-diamine;N-(2-Aminoethyl)aniline;Ethylenediamine, N-phenyl-;1,2-Ethanediamine, N-phenyl-;N-Phenyl-1,2-ethanediamine;N'-phenylethane-1,2-diamine;Benzenamine, N-(2-aminoethyl)-;1,2-Ethanediamine, N1-phenyl-;N-phenylethane-1,2-diamine;n1-phenyl-1,2-ethanediamine;EINECS 216-773-4;MFCD00008162;NSC 84247;NSC84247;phenylethylenediamine;2-phenylaminoethylamine;phenyl ethylene diamine;N -phenylethylenediamine;N-phenyl ethylenediamine;N-phenyl ethylene diamine;N-phenyl-ethylene-diamine;N-(2-aminoethyl)-aniline;N-phenyl ethyl-ene diamine;n2-phenyl-1,2-ethanediamine;N-phenyl-ethane-1,2-diamine;SCHEMBL307775;N-Phenylethylenediamine, 98%;N'-phenyl-ethane-1,2-diamine;N1-phenyl-ethane-1,2-diamine;DTXSID1061861;OCIDXARMXNJACB-UHFFFAOYSA-;BAA66440;STR05027;AC8789;NSC-84247;STL257388;AKOS005135725;AC-25457;SY009366;CS-0045385;FT-0629102;P1101;EN300-81504;A852266;J-010281

Chemical Property of N-Phenylethylenediamine

Chemical Property:

• Appearance/Colour: Clear yellow liquid
• Vapor Pressure: 0.0106mmHg at 25°C
• Melting Point: 183-186 °C
• Refractive Index: n20/D 1.587(lit.)
• Boiling Point: 262.999 °C at 760 mmHg
• PKA: 8.80±0.10(Predicted)
• Flash Point: 137.007 °C
• PSA: 38.05000
• Density: 1.055 g/cm³
• LogP: 1.83050
• Storage Temp.: 2-8°C
• Sensitive.: Air Sensitive
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 136.100048391
• Heavy Atom Count: 10
• Complexity: 77.3

Purity/Quality:

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

N-Phenylethylenediamine >98.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34-37
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NCCN
• Recent ClinicalTrials: A Study to Assess Efficacy, Safety, and Tolerability of P1101 in Adult Patients With PV
• Recent EU Clinical Trials: An open-label, prospective, multicentre, phase I/II dose escalation study to determine the maximum tolerated dose and to assess the safety and efficacy of P1101, PEG-Proline-Interferon alpha-2b for patients with Polycythaemia vera (PV).

Technology Process of N-Phenylethylenediamine

There total 29 articles about N-Phenylethylenediamine 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: 99.0%

iodobenzene (591-50-4) + ethylenediamine (107-15-3,85404-18-8) → N-(2-aminoethyl)benzeneamine (1664-40-0)

Guidance literature:

With aluminum oxide; copper; potassium hydroxide; for 0.25h;

DOI:10.1055/s-0035-1560173

Reference yield: 88.0%

bromobenzene (108-86-1,52753-63-6) + ethylenediamine (107-15-3,85404-18-8) → N-(2-aminoethyl)benzeneamine (1664-40-0)

Guidance literature:

With chitosan Cu²⁺ complex; In acetonitrile; for 5h; Reflux; Green chemistry;

DOI:10.1016/j.tetlet.2014.11.120

Reference yield: 85.0%

dimethylenecyclourethane (497-25-6) + aniline hydrochloride (142-04-1,36663-09-9) → N-(2-aminoethyl)benzeneamine (1664-40-0)

Guidance literature:

In various solvent(s); at 156 ℃; for 72h;

DOI:10.1021/jo00049a037

upstream raw materials:

ethyleneimine

aniline hydrochloride

aniline

N-phenylglycinonitrile

Downstream raw materials:

1-phenyl-imidazolidine-2-thione

1-phenylimidazolidin-2-one

N-Phenyl-N'-(2-phenyl-2-hydroxy-ethyl)-ethylendiamin

N-phenyl-N'-trimethylsilylethylenediamine

Refernces

• 1、 Ota, Yosuke,Miyamura, Shin,Araki, Misaho,Itoh, Yukihiro,Yasuda, Shusuke,Masuda, Mitsuharu,Taniguchi, Tomoyuki,Sowa, Yoshihiro,Sakai, Toshiyuki,Itami, Kenichiro,Yamaguchi, Junichiro,Suzuki, Takayoshi. "Design, synthesis and evaluation of γ-turn mimetics as LSD1-selective inhibitors". . p. 775 - 785. Retrieved 2018.
• 2、 Drabczyk, Anna K.,Ja?kowska, Jolanta,Ku?aga, Damian,Latacz, Gniewomir,Pla?uk, Damian,Rózga, Karolina,Sata?a, Grzegorz. "Design and synthesis of new potent 5-HT7 receptor ligands as a candidate for the treatment of central nervous system diseases". supporting information. . Retrieved 2021/10/29.
• 3、 Stipurin, Sergej,Strassner, Thomas. "Phosphorescent Cyclometalated Platinum(II) Imidazolinylidene Complexes". . p. 804 - 813. Retrieved 2021/02/05.