(S)-2,2-Dimethyl-1-trifluoromethyl-propylamine

Base Information

• Chemical Name: (S)-2,2-Dimethyl-1-trifluoromethyl-propylamine
• CAS No.: 736127-08-5
• Molecular Formula: C₆H₁₂F₃N
• Molecular Weight: 155.163
• Hs Code.: 2921199990
• DSSTox Substance ID: DTXSID20705323
• Wikidata: Q82638154

Synonyms:(S)-2,2-Dimethyl-1-trifluoromethyl-propylamine;736127-08-5;(2S)-1,1,1-Trifluoro-3,3-dimethylbutan-2-amine;(S)-2,2-DIMETHYL-1-TRIFLUOROMETHYLPROPYLAMINE;SCHEMBL12364122;DTXSID20705323;SWDHBAMNSWXENT-BYPYZUCNSA-N;MFCD08058822;AKOS025402950;AS-40163;EN300-1643084;A909723

Chemical Property of (S)-2,2-Dimethyl-1-trifluoromethyl-propylamine

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 155.09218387
• Heavy Atom Count: 10
• Complexity: 111

Purity/Quality:

97% ^*data from raw suppliers

(S)-2,2-Dimethyl-1-trifluoromethyl-propylamine 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)C(C(F)(F)F)N
• Isomeric SMILES: CC(C)(C)[C@@H](C(F)(F)F)N

Technology Process of (S)-2,2-Dimethyl-1-trifluoromethyl-propylamine

There total 3 articles about (S)-2,2-Dimethyl-1-trifluoromethyl-propylamine 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: 97.0%

(S)-2-methyl-N-((R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl)propane-2-sulfinamide → (R)-1-(tert-butyl)-2,2,2-trifluoroethylamine hydrochloride (736127-08-5)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; methanol; at 20 ℃; for 0.0333333h;

DOI:10.1021/acs.joc.6b01063

Reference yield:

(S)-N-(2,2-dimethylpropylidene)-2-methylpropane-2-sulfinamide → (R)-1-(tert-butyl)-2,2,2-trifluoroethylamine hydrochloride (736127-08-5)

Guidance literature:

Multi-step reaction with 2 steps

1.1: tetrabutylammonium triphenyldifluorosilicate / tetrahydrofuran / -50 °C / Inert atmosphere

1.2: 4 h / -50 °C / Inert atmosphere

2.1: hydrogenchloride / methanol; 1,4-dioxane / 0.03 h / 20 °C

With hydrogenchloride; tetrabutylammonium triphenyldifluorosilicate; In tetrahydrofuran; 1,4-dioxane; methanol;

DOI:10.1021/acs.joc.6b01063

Reference yield:

pivalaldehyde (630-19-3) → (R)-1-(tert-butyl)-2,2,2-trifluoroethylamine hydrochloride (736127-08-5)

Guidance literature:

Multi-step reaction with 3 steps

1.1: titanium(IV) tetraethanolate / tetrahydrofuran / 17 h / 20 °C / Inert atmosphere

2.1: tetrabutylammonium triphenyldifluorosilicate / tetrahydrofuran / -50 °C / Inert atmosphere

2.2: 4 h / -50 °C / Inert atmosphere

3.1: hydrogenchloride / methanol; 1,4-dioxane / 0.03 h / 20 °C

With hydrogenchloride; titanium(IV) tetraethanolate; tetrabutylammonium triphenyldifluorosilicate; In tetrahydrofuran; 1,4-dioxane; methanol;

DOI:10.1021/acs.joc.6b01063

upstream raw materials:

pivalaldehyde

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