3,3,3-Trifluoropropylazanium;chloride

Base Information

• Chemical Name: 3,3,3-Trifluoropropylazanium;chloride
• CAS No.: 2968-33-4
• Molecular Formula: C3H6F3N^.HCl
• Molecular Weight: 149.543
• Hs Code.: 2921199090
• Mol file: 2968-33-4.mol

Synonyms:SCHEMBL458653

Chemical Property of 3,3,3-Trifluoropropylazanium;chloride

Chemical Property:

• Vapor Pressure: 616mmHg at 25°C
• Melting Point: 222-223 °C
• Boiling Point: 30.6 °C at 760 mmHg
• Flash Point: 8.7 °C
• PSA: 26.02000
• Density: 5.2
• LogP: 2.39980
• Storage Temp.: Inert atmosphere,Room Temperature
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 149.0219114
• Heavy Atom Count: 8
• Complexity: 48.6

Purity/Quality:

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

3,3,3-Trifluoropropan-1-amineHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 20/21/22-52-41-37/38-22
• Safety Statements: 36/37/39-39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C[NH3+])C(F)(F)F.[Cl-]

Technology Process of 3,3,3-Trifluoropropylazanium;chloride

There total 1 articles about 3,3,3-Trifluoropropylazanium;chloride 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: 80.0%

2-(3,3,3-trifluoropropyl)isoindoline-1,3-dione (347190-33-4) → (3,3,3-trifluoropropyl)amine hydrochloride (2968-33-4)

Guidance literature:

2-(3,3,3-trifluoropropyl)isoindoline-1,3-dione; With sodium tetrahydroborate; In water; isopropyl alcohol; at 20 ℃; for 24h;

With acetic acid; at 0 - 80 ℃; for 2h;

DOI:10.1016/S0968-0896(00)00279-0

Reference yield: 98.0%

4-azidobenzoic acid (6427-66-3) + (3,3,3-trifluoropropyl)amine hydrochloride (2968-33-4) → 4-azido-N-(3,3,3-trifluoropropyl)benzamide

Guidance literature:

With hydrogenchloride; benzotriazol-1-ol; In ethyl acetate; N,N-dimethyl-formamide;

Reference yield: 93.0%

4-(2-methylthiazol-4-yl)benzoic acid (294620-60-3) + (3,3,3-trifluoropropyl)amine hydrochloride (2968-33-4) → 4-(2-methylthiazol-4-yl)-N-(3,3,3-trifluoropropyl)benzamide (1589818-98-3)

Guidance literature:

With benzotriazol-1-ol; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20 ℃; for 2h;

DOI:10.1021/jm500422b

upstream raw materials:

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

Downstream raw materials:

N-(8-methyl-3-{[(3,3,3-tritluoropropyl)amino]methyl}quinolin-7-yl)-4-[(2R)-tetrahydrofuran-2-ylmethoxy]benzamide

C₁₆H₁₁ClF₃N₃O₃

1-(5-(7-chloro-2-methyl-1,6-naphthyridin-3-yl)-2-fluoro-4-methylphenyl)-3-(3,3,3-trifluoropropyl)urea

4-(2-methylthiazol-4-yl)-N-(3,3,3-trifluoropropyl)benzamide

Refernces