(S)-1-(4-Fluorophenyl)propan-1-amine

Base Information

• Chemical Name: (S)-1-(4-Fluorophenyl)propan-1-amine
• CAS No.: 473732-86-4
• Molecular Formula: C9H12FN
• Molecular Weight: 153.1966832
• DSSTox Substance ID: DTXSID301278924
• Wikidata: Q76393799
• Mol file: 473732-86-4.mol

Synonyms:(S)-1-(4-Fluorophenyl)propan-1-amine;473732-86-4;(1S)-1-(4-fluorophenyl)propan-1-amine;(1S)-1-(4-FLUOROPHENYL)PROPYLAMINE;SCHEMBL1364755;BWZFVQWUKNCKQL-VIFPVBQESA-N;DTXSID301278924;MFCD08438964;AKOS017357417;(S)-1-(4-fluorophenyl)-1-propanylamine;BS-49987;CS-0158647;(alphaS)-alpha-Ethyl-4-fluorobenzenemethanamine;EN300-150623;Y11063;A853116

Chemical Property of (S)-1-(4-Fluorophenyl)propan-1-amine

Chemical Property:

• Boiling Point: 206.2±15.0 °C(Predicted)
• PKA: 9.29±0.10(Predicted)
• PSA: 26.02000
• Density: 1.039±0.06 g/cm3(Predicted)
• LogP: 2.93580
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 153.095377549
• Heavy Atom Count: 11
• Complexity: 108

Purity/Quality:

97% ^*data from raw suppliers

(1S)-1-(4-FLUOROPHENYL)PROPYLAMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C1=CC=C(C=C1)F)N
• Isomeric SMILES: CC[C@@H](C1=CC=C(C=C1)F)N

Technology Process of (S)-1-(4-Fluorophenyl)propan-1-amine

There total 2 articles about (S)-1-(4-Fluorophenyl)propan-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: 70.0%

→ 4-fluoro-α-(S)-methylbenzylamine (473732-86-4,239105-45-4)

Guidance literature:

Reference yield:

1-(4-fluorophenyl)propan-1-one (456-03-1) → 4-fluoro-α-(S)-methylbenzylamine (473732-86-4,239105-45-4)

Guidance literature:

With 1,5-diaminopentane; pyridoxal 5'-phosphate; amine transaminase ATA₂₅₆ enzyme; In aq. buffer; at 30 ℃; for 48h; pH=10.9; Enzymatic reaction;

DOI:10.1002/ejoc.201800799

Reference yield:

3,6-dichlorpyridazine (141-30-0) + 4-fluoro-α-(S)-methylbenzylamine (473732-86-4,239105-45-4) → 6-chloro-N-[(1S)-1-(4-fluorophenyl)propyl]-3-pyridazinamine (1145786-50-0)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In 1-methyl-pyrrolidin-2-one; at 200 ℃; for 1.16667h; microwave irradiation;

upstream raw materials:

1-(4-fluorophenyl)propan-1-one

Downstream raw materials:

6-chloro-N-[(1S)-1-(4-fluorophenyl)propyl]-3-pyridazinamine

C₁₉H₁₈FN₇

N-[(1S)-1-(4-fluorophenyl)propyl]-6-[4-(4-methyl-1H-imidazol-1-yl)-3-(methyloxy)phenyl]-3-pyridazinamine

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