4-(4-Fluorophenyl)-1,3-thiazol-2-amine

Base Information

• Chemical Name: 4-(4-Fluorophenyl)-1,3-thiazol-2-amine
• CAS No.: 77815-14-6
• Molecular Formula: C9H7FN2S
• Molecular Weight: 194.232
• Hs Code.: 2934100090
• European Community (EC) Number: 671-579-0
• DSSTox Substance ID: DTXSID70352285
• Nikkaji Number: J1.217.923E
• Wikidata: Q82129340
• ChEMBL ID: CHEMBL1585539
• Mol file: 77815-14-6.mol

Synonyms:77815-14-6;4-(4-fluorophenyl)-1,3-thiazol-2-amine;2-amino-4-(4-fluorophenyl)thiazole;4-(4-Fluorophenyl)thiazol-2-amine;2-amino-4-(4-fluorophenyl)-1,3-thiazole;2-Thiazolamine, 4-(4-fluorophenyl)-;4-(4-Fluoro-phenyl)-thiazol-2-ylamine;MFCD01086598;Cambridge id 5767634;Oprea1_850524;MLS000707841;SCHEMBL128793;CHEMBL1585539;DTXSID70352285;HMS2755F23;STK123539;AKOS000104779;5K-596S;AB08236;Thiazole, 2-amino-4-(4-fluorophenyl)-;SMR000288908;SY012596;BB 0221287;CS-0071050;FT-0677300;EN300-02236;A839202;AB-601/30964014;J-513521;F0012-0246

Chemical Property of 4-(4-Fluorophenyl)-1,3-thiazol-2-amine

Chemical Property:

• Vapor Pressure: 2.43E-05mmHg at 25°C
• Melting Point: 102-110°C
• Refractive Index: 1.635
• Boiling Point: 359.1 °C at 760 mmHg
• PKA: 4.18±0.10(Predicted)
• Flash Point: 171 °C
• PSA: 67.15000
• Density: 1.349 g/cm³
• LogP: 3.11260
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 194.03139757
• Heavy Atom Count: 13
• Complexity: 171

Purity/Quality:

97%, ^*data from raw suppliers

4-(4-Fluorophenyl)-1,3-thiazol-2-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=CSC(=N2)N)F

Technology Process of 4-(4-Fluorophenyl)-1,3-thiazol-2-amine

There total 17 articles about 4-(4-Fluorophenyl)-1,3-thiazol-2-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: 96.0%

→ 2-amino-4-(4-fluorophenyl)thiazole (77815-14-6)

Guidance literature:

In ethanol; for 2h; Inert atmosphere; Reflux;

Reference yield: 95.0%

thiourea (17356-08-0) + 2-bromo-4'-fluoroacetophenone (403-29-2) → 2-amino-4-(4-fluorophenyl)thiazole (77815-14-6)

Guidance literature:

In ethanol; at 45 ℃; for 0.583333h; Sonication;

DOI:10.1007/s10895-015-1659-1

Reference yield: 93.0%

1-(1-azidovinyl)-4-fluorobenzene (1374152-38-1) + ammonium thiocyanate (1147550-11-5) → 2-amino-4-(4-fluorophenyl)thiazole (77815-14-6)

Guidance literature:

With copper diacetate; In acetonitrile; at 20 ℃; for 20h; Irradiation; Inert atmosphere;

DOI:10.1021/acscatal.7b02818

upstream raw materials:

1-(4-fluorophenyl)ethanone

thiourea

2-Chloro-4'-fluoroacetophenone

2-bromo-4'-fluoroacetophenone

Downstream raw materials:

2-(N-acetamino)-4-(4-fluorophenyl)thiazole

N-(4-(4-fluorophenyl)thiazol-2-yl)-2-(4-(methylsulfonyl)phenyl)-3-(tetrahydro-2H-pyran-4-yl)propanamide

C₁₄H₁₃FN₂O₃S

2-((2-((4-(4-fluorophenyl)thiazol-2-yl)amino)-2-oxoethyl)thio)acetic acid

Refernces

• 1、 Ujwaldev, Sankuviruthiyil M.,Harry, Nissy Ann,Neetha, Mohan,Anilkumar, Gopinathan. "Novel synthesis of 2-Aminothiazoles via Fe(III)-Iodine-catalyzed Hantzsch-type condensation". supporting information. p. 646 - 653. Retrieved 2020/10/20.
• 2、 Alamir, Amir,Asgari, Mohammad Sadegh,Bandarian, Fatemeh,Faramarzi, Mohammad Ali,Hajimiri, Mir Hamed,Hamedifar, Haleh,Hosseini, Samanesadat,Iraji, Aida,Larijani, Bagher,Mahdavi, Mohammad,Mojtabavi, Somayeh,Moradi, Shahram,Nasli Esfahani, Anita,Nasli-Esfahani, Ensieh. "Design and synthesis of phenoxymethybenzoimidazole incorporating different aryl thiazole-triazole acetamide derivatives as α-glycosidase inhibitors". . . Retrieved 2021/09/18.