(S)-n-methyl-1-(4-fluorophenyl)ethylamine

Base Information

• Chemical Name: (S)-n-methyl-1-(4-fluorophenyl)ethylamine
• CAS No.: 672906-67-1
• Molecular Formula: C9H12FN
• Molecular Weight: 153.2
• Hs Code.: 2921490090
• European Community (EC) Number: 692-692-1
• Mol file: 672906-67-1.mol

Synonyms:672906-67-1;(S)-n-methyl-1-(4-fluorophenyl)ethylamine;(S)-1-(4-fluorophenyl)-N-methylethanamine;(1S)-1-(4-fluorophenyl)-N-methylethanamine;[(1S)-1-(4-fluorophenyl)ethyl](methyl)amine;(1S)-1-(4-fluorophenyl)-N-methylethan-1-amine;VWA;(S)-1-(4-FLUOROPHENYL)-N-METHYLETHYLAMINE;SCHEMBL13262062;MFCD07779100;AKOS017382617;CS-0331407;(1S)-1-(4-fluorophenyl)-N-methyl-ethanamine;N13109;(S)-1-(4-fluorophenyl)-N-methylethan-1-amine;EN300-2991186;A835696

Chemical Property of (S)-n-methyl-1-(4-fluorophenyl)ethylamine

Chemical Property:

• Vapor Pressure: 0.859mmHg at 25°C
• Refractive Index: 1.489
• Boiling Point: 181.275°C at 760 mmHg
• PKA: 9.74±0.10(Predicted)
• Flash Point: 63.433°C
• PSA: 12.03000
• Density: 1.004g/cm³
• LogP: 2.49700
• 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

(S)-N-Methyl-1-(4-fluorophenyl)ethylamine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (S)-n-methyl-1-(4-fluorophenyl)ethylamine

There total 4 articles about (S)-n-methyl-1-(4-fluorophenyl)ethylamine 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: 83.0%

C2H4O2*C9H12FN (672906-84-2) → (S)-1-(4-fluorophenyl)-N-methylethan-1-amine (672906-67-1,574731-02-5)

Guidance literature:

With sodium hydroxide; In water;

Reference yield:

N-methyl-[1-(4'-fluorophenyl)ethylidene]amine (1227083-63-7) → (S)-1-(4-fluorophenyl)-N-methylethan-1-amine (672906-67-1,574731-02-5) + (R)-1-(4-fluorophenyl)ethylamine N-monomethyl (672906-68-2,574731-02-5)

Guidance literature:

With C₃₄H₃₇FeN₃O₂Si; 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane; In diethyl ether; at 20 - 26 ℃; for 16.7h; Solvent; Temperature; enantioselective reaction;

DOI:10.1002/anie.202006557

Reference yield:

1-(4-fluorophenyl)ethanone (403-42-9) → (S)-1-(4-fluorophenyl)-N-methylethan-1-amine (672906-67-1,574731-02-5)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol / 48 h / 20 °C / Inert atmosphere; Molecular sieve

2: C₃₂H₁₂BF₂₄^(1-)*C₃₃H₅₂IrN₃O₂P⁽¹⁺⁾; hydrogen / dichloromethane / -10 °C / 2250.23 Torr

With C₃₂H₁₂BF₂₄^(1-)*C₃₃H₅₂IrN₃O₂P⁽¹⁺⁾; hydrogen; In ethanol; dichloromethane;

DOI:10.1021/jacs.8b11547

upstream raw materials:

C₂H₄O₂*C₉H₁₂FN

1-(4-fluorophenyl)ethanone

N-methyl-[1-(4'-fluorophenyl)ethylidene]amine

Downstream raw materials:

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

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