1-(4-Fluorophenyl)prop-2-EN-1-amine

Base Information

• Chemical Name: 1-(4-Fluorophenyl)prop-2-EN-1-amine
• CAS No.: 688362-55-2
• Molecular Formula: C₉H₁₀FN
• Molecular Weight: 151.184
• DSSTox Substance ID: DTXSID70514422
• Mol file: 688362-55-2.mol

Synonyms:688362-55-2;1-(4-FLUOROPHENYL)PROP-2-EN-1-AMINE;BENZENEMETHANAMINE, ALPHA-ETHENYL-4-FLUORO- (9CI);DTXSID70514422;AKOS014313276

Chemical Property of 1-(4-Fluorophenyl)prop-2-EN-1-amine

Chemical Property:

• Boiling Point: 223.3±25.0 °C(Predicted)
• PKA: 8.49±0.10(Predicted)
• PSA: 26.02000
• Density: 1.061±0.06 g/cm3(Predicted)
• LogP: 2.71180
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 151.079727485
• Heavy Atom Count: 11
• Complexity: 128

Purity/Quality:

99%+ ^*data from raw suppliers

1-(4-fluorophenyl)prop-2-en-1-amine 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CC(C1=CC=C(C=C1)F)N

Technology Process of 1-(4-Fluorophenyl)prop-2-EN-1-amine

There total 3 articles about 1-(4-Fluorophenyl)prop-2-EN-1-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: 35.0%

(+/-)-N-1-acetyl-1-(4-fluorophenyl)-2-propenylamine (688362-48-3) → (+/-)-1-(4-fluorophenyl)-2-propenylamine (688362-55-2,688362-62-1)

Guidance literature:

With hydrogenchloride; at 90 ℃; for 16h;

DOI:10.1016/j.tetasy.2004.01.035

Reference yield:

(+/-)-N-[1-(4-fluorophenyl)-2-propynyl]acetamide (226698-91-5) → (+/-)-1-(4-fluorophenyl)-2-propenylamine (688362-55-2,688362-62-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 63 percent / H₂ / Lindlar catalyst / dimethylformamide; ethane-1,2-diamine / 2 h / 20 °C / 760 Torr

2: 35 percent / aq. HCl / 16 h / 90 °C

With hydrogenchloride; hydrogen; Lindlar's catalyst; In ethylenediamine; N,N-dimethyl-formamide;

DOI:10.1016/j.tetasy.2004.01.035

Reference yield:

1-(4-fluorophenyl)prop-2-yn-1-ol (3798-61-6,179249-16-2) → (+/-)-1-(4-fluorophenyl)-2-propenylamine (688362-55-2,688362-62-1)

Guidance literature:

Multi-step reaction with 3 steps

1: H₂SO₄

2: 63 percent / H₂ / Lindlar catalyst / dimethylformamide; ethane-1,2-diamine / 2 h / 20 °C / 760 Torr

3: 35 percent / aq. HCl / 16 h / 90 °C

With hydrogenchloride; sulfuric acid; hydrogen; Lindlar's catalyst; In ethylenediamine; N,N-dimethyl-formamide; 1: Ritter reaction;

DOI:10.1016/j.tetasy.2004.01.035

upstream raw materials:

(+/-)-N-1-acetyl-1-(4-fluorophenyl)-2-propenylamine

1-(4-fluorophenyl)prop-2-yn-1-ol

(+/-)-N-[1-(4-fluorophenyl)-2-propynyl]acetamide

Downstream raw materials:

(R)-1-(4-fluorophenyl)-2-propenylamine

(S)-1-(4-fluorophenyl)-2-propenylamine