1-[3-Amino-5-(4-fluorophenyl)thiophen-2-yl]ethanone

Base Information

• Chemical Name: 1-[3-Amino-5-(4-fluorophenyl)thiophen-2-yl]ethanone
• CAS No.: 306935-10-4
• Molecular Formula: C₁₂H₁₀FNOS
• Molecular Weight: 235.282
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID60372194
• Wikidata: Q82159773
• Mol file: 306935-10-4.mol

Synonyms:306935-10-4;1-[3-amino-5-(4-fluorophenyl)thiophen-2-yl]ethanone;Ethanone, 1-[3-amino-5-(4-fluorophenyl)-2-thienyl]-;1-[3-amino-5-(4-fluorophenyl)-2-thienyl]ethan-1-one;Maybridge1_003968;2-Acetyl-3-amino-5-(4-fluorophenyl)thiophene;Ethanone,1-[3-amino-5-(4-fluorophenyl)-2-thienyl]-;HMS552M08;DTXSID60372194;MFCD02179905;NSC798571;AKOS025117164;NSC-798571;FT-0607122;1-[3-Amino-5-(4-fluorophenyl)-2-thienyl!ethan-1-one,97;1-[3-amino-5-(4-fluorophenyl)thiophen-2-yl]ethan-1-one

Chemical Property of 1-[3-Amino-5-(4-fluorophenyl)thiophen-2-yl]ethanone

Chemical Property:

• Melting Point: 122℃
• PSA: 71.33000
• LogP: 3.92020
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 235.04671328
• Heavy Atom Count: 16
• Complexity: 266

Purity/Quality:

99%+ ^*data from raw suppliers

2-Acetyl-3-amino-5-(4-fluorophenyl)thiophene 97% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)F)N

Technology Process of 1-[3-Amino-5-(4-fluorophenyl)thiophen-2-yl]ethanone

There total 2 articles about 1-[3-Amino-5-(4-fluorophenyl)thiophen-2-yl]ethanone 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: 81.0%

2-bromo-2-chloro-3-(4-fluorophenyl)propanenitrile + 1-mercaptopropan-2-one (24653-75-6) → 1-[3-amino-5-(4-fluorophenyl)thiophen-2-yl]ethanone (306935-10-4)

Guidance literature:

With sodium methylate; In methanol; at 20 ℃; for 1h;

DOI:10.1002/ejoc.201901512

Reference yield:

4-fluoroaniline (371-40-4) → 1-[3-amino-5-(4-fluorophenyl)thiophen-2-yl]ethanone (306935-10-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: hydrogen bromide; sodium nitrite / water / 0.08 h / -5 - 5 °C

1.2: 20 °C

2.1: sodium methylate / methanol / 1 h / 20 °C

With hydrogen bromide; sodium methylate; sodium nitrite; In methanol; water; 1.2: |Meerwein Arylation;

DOI:10.1002/ejoc.201901512

upstream raw materials:

1-mercaptopropan-2-one

4-fluoroaniline

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