(1S,2S)-(-)-N,N'-Dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethylenediamine

Base Information

• Chemical Name: (1S,2S)-(-)-N,N'-Dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethylenediamine
• CAS No.: 205873-26-3
• Molecular Formula: C₁₈H₁₈F₆N₂
• Molecular Weight: 376.345
• European Community (EC) Number: 630-683-6
• DSSTox Substance ID: DTXSID30426956
• Nikkaji Number: J2.873.989C
• Wikidata: Q82239733
• Mol file: 205873-26-3.mol

Synonyms:205873-26-3;(1S,2S)-(-)-N,N'-Dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethylenediamine;1,2-Ethanediamine, N1,N2-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]-, (1S,2S)-;(1S,2S)-N,N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine;(1S,2S)-(-)-N,N'-Dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]-1,2-ethanediamine;(1S,2S)-N1,N2-Dimethyl-1,2-bis(3-(trifluoromethyl)phenyl)ethane-1,2-diamine;SCHEMBL17465593;DTXSID30426956;SBGOGHODWUZHIY-HOTGVXAUSA-N;AS-73690;CS-0182502;E78016;(1S,2S)-N,N'-Dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethylenediamine;(1S,2S)-(-)-N,N'-Dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethylenediamine, 97%;(1S,2S)-N~1~,N~2~-Dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine;1,2-Ethanediamine,N,N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]-,[s-(r*,r*)]-(9ci);METHYL[(1S,2S)-2-(METHYLAMINO)-1,2-BIS[3-(TRIFLUOROMETHYL)PHENYL]ETHYL]AMINE

Chemical Property of (1S,2S)-(-)-N,N'-Dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethylenediamine

Chemical Property:

• Melting Point: 113 °C
• PSA: 24.06000
• Density: 1.2608 (estimate)
• LogP: 5.72720
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 376.13741756
• Heavy Atom Count: 26
• Complexity: 396

Purity/Quality:

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

(1S,2S)-(?)-N,N′-Dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethylenediamine 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CNC(C1=CC(=CC=C1)C(F)(F)F)C(C2=CC(=CC=C2)C(F)(F)F)NC
• Isomeric SMILES: CN[C@@H](C1=CC(=CC=C1)C(F)(F)F)[C@H](C2=CC(=CC=C2)C(F)(F)F)NC

Technology Process of (1S,2S)-(-)-N,N'-Dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethylenediamine

There total 3 articles about (1S,2S)-(-)-N,N'-Dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethylenediamine 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:

3-Trifluoromethylbenzaldehyde (454-89-7) → (1S,2S)-(+)-N,N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]-1,2-ethanediamine (205873-26-3)

Guidance literature:

Multi-step reaction with 3 steps

1: 87 percent / H₂O / 1 h / Ambient temperature

2: 48 percent / Mg*Hg, TiCl₄ / 12 h / 0 °C

With amalgamated magnesium; titanium tetrachloride; In water;

DOI:10.1021/jo00271a034

Reference yield:

N-{[3-(trifluoromethyl)phenyl]methylidene}methanamine (121372-62-1) → (1S,2S)-(+)-N,N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]-1,2-ethanediamine (205873-26-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 48 percent / Mg*Hg, TiCl₄ / 12 h / 0 °C

With amalgamated magnesium; titanium tetrachloride;

DOI:10.1021/jo00271a034

Reference yield:

N,N'-dimethyl-1,2-bis(3-(trifluoromethyl)phenyl)-1,2-ethanediamine (137944-39-9,120263-19-6) → (1S,2S)-(+)-N,N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]-1,2-ethanediamine (205873-26-3)

Guidance literature:

DOI:10.1021/jo00271a034

upstream raw materials:

N,N'-dimethyl-1,2-bis(3-(trifluoromethyl)phenyl)-1,2-ethanediamine

3-Trifluoromethylbenzaldehyde

N-{[3-(trifluoromethyl)phenyl]methylidene}methanamine

Refernces