5-(3-Fluorobenzyl)-1,3-thiazol-2-amine

Base Information

• Chemical Name: 5-(3-Fluorobenzyl)-1,3-thiazol-2-amine
• CAS No.: 884497-40-9
• Molecular Formula: C10H9FN2S
• Molecular Weight: 208.259
• European Community (EC) Number: 870-029-9
• DSSTox Substance ID: DTXSID00392018
• Wikidata: Q82189899
• Mol file: 884497-40-9.mol

Synonyms:884497-40-9;5-(3-fluorobenzyl)-1,3-thiazol-2-amine;5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-amine;5-(3-Fluoro-benzyl)-thiazol-2-ylamine;5-(3-Fluorobenzyl)thiazol-2-amine;SCHEMBL965932;DTXSID00392018;TZTVOZBUYKWEMJ-UHFFFAOYSA-N;MFCD05863658;AKOS000125479;BS-36076;CS-0247143;FT-0744372;EN300-35804;5-(3-Fluorobenzyl)-1,3-thiazol-2-amine, AldrichCPR;Z228586456

Chemical Property of 5-(3-Fluorobenzyl)-1,3-thiazol-2-amine

Chemical Property:

• Vapor Pressure: 5.84E-05mmHg at 25°C
• Boiling Point: 346.2°C at 760 mmHg
• Flash Point: 163.2°C
• PSA: 67.15000
• Density: 1.317g/cm³
• LogP: 3.03640
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 208.04704763
• Heavy Atom Count: 14
• Complexity: 191

Purity/Quality:

98% ^*data from raw suppliers

5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-amine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)F)CC2=CN=C(S2)N

Technology Process of 5-(3-Fluorobenzyl)-1,3-thiazol-2-amine

There total 3 articles about 5-(3-Fluorobenzyl)-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: 93.0%

tert-butyl-{5-[hydroxy(3-fluorophenyl)methyl]thiazol-2-yl}carbamate → 5-(3-fluorobenzyl)-2-thiazolamine (884497-40-9)

Guidance literature:

With triethylsilane; trifluoroacetic acid; In dichloromethane; at 0 - 20 ℃; for 17h;

Reference yield: 43.0%

3-(3-fluorophenyl)propanal (245070-85-3) + thiourea (17356-08-0) → 5-(3-fluorobenzyl)-2-thiazolamine (884497-40-9)

Guidance literature:

3-(3-fluorophenyl)propanal; With N-chloro-succinimide; L-proline; In dichloromethane; at 20 ℃;

thiourea; In ethanol; Reflux;

DOI:10.1016/j.bmcl.2009.05.119

Reference yield:

3-Fluorobenzaldehyde (456-48-4) → 5-(3-fluorobenzyl)-2-thiazolamine (884497-40-9)

Guidance literature:

Multi-step reaction with 2 steps

1: n-butyllithium / tetrahydrofuran / 2 h / -78 °C / Inert atmosphere

2: triethylsilane; trifluoroacetic acid / dichloromethane / 20 °C / Inert atmosphere

With triethylsilane; n-butyllithium; trifluoroacetic acid; In tetrahydrofuran; dichloromethane;

DOI:10.1016/j.bmc.2014.12.006

upstream raw materials:

3-(3-fluorophenyl)propanal

thiourea

3-Fluorobenzaldehyde

Downstream raw materials:

C₂₅H₂₇FN₂O₅S

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