1,1,1-Trifluoropropan-2-amine

Base Information

• Chemical Name: 1,1,1-Trifluoropropan-2-amine
• CAS No.: 421-49-8
• Molecular Formula: C3H6F3N
• Molecular Weight: 113.083
• Hs Code.: 2921199090
• European Community (EC) Number: 806-637-8
• DSSTox Substance ID: DTXSID901307602
• Mol file: 421-49-8.mol

Synonyms:1,1,1-trifluoropropan-2-amine;421-49-8;2-Amino-1,1,1-trifluoropropane;1,1,1-trifluoro-2-propanamine;1,1,1-Trifluoro-Isopropylamine;1,1,1-TRIFLUOROISOPROPYLAMINE;2,2,2-Trifluoro-1-methyl-ethylamine;1-(Trifluoromethyl)ethylamine;MFCD04973020;1,1,1-Trifluoropropan-2-amine HCl;(2,2,2-trifluoro-1-methylethyl)amine;SCHEMBL234663;AMY2934;DTXSID901307602;BCP13911;1-methyl-2,2,2-trifluoroethylamine;2,2,2-trifluoro-1-methylethylamine;AKOS005762894;CS-W000651;SB75315;2,2,2-trifluoro-1-methyl-ethyl-amine;AS-18654;SY065364;L-2,2,2,-trifluoro-1-(methyl)ethylamine;1,1,1-Trifluoro-isopropylamine, AldrichCPR;CS-0022346;FT-0654844;FT-0675544;EN300-89604;N12201;A825790

Chemical Property of 1,1,1-Trifluoropropan-2-amine

Chemical Property:

• Melting Point: 0°C
• Boiling Point: 58.9 °C at 760 mmHg
• PKA: 5.82±0.50(Predicted)
• Flash Point: 0°C
• PSA: 26.02000
• Density: 1.148 g/cm³
• LogP: 1.59620
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 113.04523368
• Heavy Atom Count: 7
• Complexity: 57.7

Purity/Quality:

99% ^*data from raw suppliers

1,1,1-Trifluoro-2-propanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(F)(F)F)N
• Uses: 1-(Trifluoromethyl)ethylamine is a flurorinated propanamine derivative used as a building block in the synthesis of pharmaceutical compounds such as hNav1.7 channel blockers and anti-cancer agents.

Technology Process of 1,1,1-Trifluoropropan-2-amine

There total 9 articles about 1,1,1-Trifluoropropan-2-amine 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: 98.0%

1,1,1-trifluoro-propanone-oxime (431-40-3) → 2,2,2-Trifluoro-1-methylethanamine (421-49-8,779303-24-1)

Guidance literature:

With hydrogen; In methanol; at 90 ℃; under 1500.15 Torr; Autoclave; Large scale;

DOI:10.14233/ajchem.2015.17863

Reference yield: 93.3%

1,1,1-trifluoropropan-2-yl 4-methylbenzenesulfonate (58219-97-9,6189-13-5) → 2,2,2-Trifluoro-1-methylethanamine (421-49-8,779303-24-1)

Guidance literature:

With potassium tert-butylate; ammonia; In 1-methyl-pyrrolidin-2-one; at 100 ℃; for 6h; under 3750.38 Torr; Temperature; Solvent; Time; Reagent/catalyst; Pressure;

Reference yield:

N-1,1,1-trifluoropropan-2-ylidene-1-phenylmethanamine (119561-23-8) → 2,2,2-Trifluoro-1-methylethanamine (421-49-8,779303-24-1)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; benzylamine; In toluene; at 90 ℃;

DOI:10.1039/c3ra40526e

upstream raw materials:

1,1,1-trifluoro-propanone-oxime

1,1,1-trifluoropropanone oxime

rac-Ala-OH

methyl magnesium iodide

Downstream raw materials:

C₂₄H₂₉F₃N₂O

(S)-1,1,1-trifluoropropan-2-amine

(R)-N-(1,1,1-trifluoropropan-2-yl)acetamide

Refernces

• 1、 -. "Preparation method of 1, 1, 1-trifluoroisopropylamine". Paragraph 0074-0106. . Retrieved 2021/05/05.
• 2、 Cheng, Guilin,Xia, Bo,Wu, Qi,Lin, Xianfu. "Chemoenzymatic dynamic kinetic resolution of α-trifluoromethylated amines: Influence of substitutions on the reversed stereoselectivity". . p. 9820 - 9828. Retrieved 2013/09/02.