3,3,3-Trifluoropropylamine

Base Information

• Chemical Name: 3,3,3-Trifluoropropylamine
• CAS No.: 460-39-9
• Molecular Formula: C3H6F3N
• Molecular Weight: 113.083
• Hs Code.: 2921199090
• European Community (EC) Number: 676-291-9
• DSSTox Substance ID: DTXSID10196680
• Nikkaji Number: J3.559.514G
• Wikidata: Q72513296
• ChEMBL ID: CHEMBL1162287
• Mol file: 460-39-9.mol

Synonyms:3,3,3-Trifluoropropylamine;460-39-9;3,3,3-trifluoropropan-1-amine;Trifluoropropylamine;1-Propanamine, 3,3,3-trifluoro-;BRN 1734764;3,3,3-TRIFLUOROPROPYL-1-AMINE;PROPYLAMINE, 3,3,3-TRIFLUORO-;C3H6F3N;3,3,3-trifluoro-propylamine;MFCD01694854;1-Propanamine, 3,3,3-trifluoro- (9CI);trifluoropropyl amine;CF3CH2CH2NH2;SCHEMBL25435;SCHEMBL5088019;3,3,3-trifluoro-N-propylamine;CHEMBL1162287;DTXSID10196680;C3-H6-F3-N;AMY15153;AKOS000143080;AB09785;AT14451;FS-5535;3,3,3-trifluoropropylamine, AldrichCPR;LS-125740;BB 0259905;EN300-41780;J3.559.514G

Chemical Property of 3,3,3-Trifluoropropylamine

Chemical Property:

• Vapor Pressure: 616mmHg at 25°C
• Refractive Index: 1.328
• Boiling Point: 30.6 °C at 760 mmHg
• PKA: 8.18±0.10(Predicted)
• PSA: 26.02000
• Density: 1.152g/cm³
• LogP: 1.59780
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 113.04523368
• Heavy Atom Count: 7
• Complexity: 48.6

Purity/Quality:

99%, ^*data from raw suppliers

3,3,3-Trifluoropropylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CN)C(F)(F)F

Technology Process of 3,3,3-Trifluoropropylamine

There total 9 articles about 3,3,3-Trifluoropropylamine 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:

3,3,3-trifluoropropionamide (460-75-3) → 3,3,3-trifluoropropylamine (460-39-9)

Guidance literature:

With borane-THF; In tetrahydrofuran; at 55 ℃; for 30h;

DOI:10.1021/jm0400653

Reference yield:

1,1,1-trifluoro-3-iodopropane (460-37-7,71215-70-8) + 1,2,3,4,9,9a-hexahydro-4AH-fluoren-4a-amine (96650-83-8) → 3,3,3-trifluoropropylamine (460-39-9)

Guidance literature:

In acetonitrile;

Reference yield:

4,4,4-trifluorobutanoyl chloride (406-91-7) → 3,3,3-trifluoropropylamine (460-39-9)

Guidance literature:

With sodium azide; benzene; und Erwaermen des Reaktionsgemisches mit wenig Schwefelsaeure;

DOI:10.1021/ja01612a057

upstream raw materials:

3-chloro-1,1,1-trifluoropropane

4,4,4-trifluorobutanoyl chloride

2-(3,3,3-trifluoropropyl)isoindoline-1,3-dione

Vinylidene fluoride

Downstream raw materials:

C₉H₉F₃NO₃S*H⁽¹⁺⁾

1-(3,3,3-trifluoropropyl)-3-cyclohexylurea

6-chloro-4-hydroxy-4-phenyl-3-(2,2,2-trifluoroethyl)-3,4-dihydroquinazolin-2(1H)-one

6-fluoro-4-hydroxy-4-phenyl-3-(2,2,2-trifluoroethyl)-3,4-dihydroquinazolin-2(1H)-one

Refernces

• 1、 -. "Isotopically-labeled polycyclic amine derivatives". . . Retrieved 2008/06/13.
• 2、 -. "Process for preparing pyrazolopyridine compounds". . . Retrieved 2008/06/13.