N1-ethyl-N1-(4-fluorobenzyl)ethane-1,2-diamine

Base Information

• Chemical Name: N1-ethyl-N1-(4-fluorobenzyl)ethane-1,2-diamine
• CAS No.: 61694-94-8
• Molecular Formula: C₁₁H₁₇FN₂
• Molecular Weight: 196.268
• DSSTox Substance ID: DTXSID50511757
• Wikidata: Q82370712
• Mol file: 61694-94-8.mol

Synonyms:61694-94-8;N1-ethyl-N1-(4-fluorobenzyl)ethane-1,2-diamine;N*1*-Ethyl-N*1*-(4-fluoro-benzyl)-ethane-1,2-diamine;SCHEMBL11463931;DTXSID50511757;N'-ethyl-N'-[(4-fluorophenyl)methyl]ethane-1,2-diamine;AKOS010607449;AM101032;(2-AMINOETHYL)(ETHYL)[(4-FLUOROPHENYL)METHYL]AMINE;N~1~-Ethyl-N~1~-[(4-fluorophenyl)methyl]ethane-1,2-diamine

Chemical Property of N1-ethyl-N1-(4-fluorobenzyl)ethane-1,2-diamine

Chemical Property:

• PSA: 29.26000
• LogP: 2.30660
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 196.13757671
• Heavy Atom Count: 14
• Complexity: 144

Purity/Quality:

N1-Ethyl-N1-(4-fluorobenzyl)ethane-1,2-diamine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CCN)CC1=CC=C(C=C1)F

Technology Process of N1-ethyl-N1-(4-fluorobenzyl)ethane-1,2-diamine

There total 1 articles about N1-ethyl-N1-(4-fluorobenzyl)ethane-1,2-diamine 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:

[Ethyl-(4-fluoro-benzyl)-amino]-acetonitrile → N-ethyl-N-(p-fluorophenylmethyl)-ethylenediamine (61694-94-8)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 1h; Ambient temperature;

DOI:10.1021/jm00142a019

Reference yield:

4-amino-5-chloro-2-methoxybenzoic acid (7206-70-4) + N-ethyl-N-(p-fluorophenylmethyl)-ethylenediamine (61694-94-8) → N-[2-(n'-ethyl-N'-p-fluorophenylmethylamino)ethyl]-4-amino-5-chloro-2-methoxybenzamide (61694-47-1)

Guidance literature:

Reference yield:

C11H12ClNO5 (150007-96-8) + N-ethyl-N-(p-fluorophenylmethyl)-ethylenediamine (61694-94-8) → N-[2-(n'-ethyl-N'-p-fluorophenylmethylamino)ethyl]-4-amino-5-chloro-2-methoxybenzamide (61694-47-1)

Guidance literature:

In dichloromethane; for 2h; Yield given; Ambient temperature;

DOI:10.1021/jm00142a019

Downstream raw materials:

N-[2-(n'-ethyl-N'-p-fluorophenylmethylamino)ethyl]-4-amino-5-chloro-2-methoxybenzamide

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