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

Base Information

• Chemical Name: 4-(4-Chlorophenyl)-1,3-thiazol-2-amine
• CAS No.: 2103-99-3
• Molecular Formula: C9H7ClN2S
• Molecular Weight: 210.687
• Hs Code.: 29341000
• European Community (EC) Number: 626-038-3
• NSC Number: 372682
• UNII: WFJ6DX9BPJ
• DSSTox Substance ID: DTXSID70175234
• Nikkaji Number: J580.613E
• Wikidata: Q72434770
• ChEMBL ID: CHEMBL1650273
• Mol file: 2103-99-3.mol

Synonyms:2-amino-4-(4-chlorophenyl)thiazole

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

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 2.77E-06mmHg at 25°C
• Melting Point: 169-171 °C(lit.)
• Refractive Index: 1.667
• Boiling Point: 389.8 °C at 760 mmHg
• PKA: 3.95±0.10(Predicted)
• Flash Point: 189.6 °C
• PSA: 67.15000
• Density: 1.389 g/cm³
• LogP: 3.62690
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 210.0018471
• Heavy Atom Count: 13
• Complexity: 171

Purity/Quality:

97% ^*data from raw suppliers

2-Amino-4-(4-chlorophenyl)thiazole ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=CSC(=N2)N)Cl
• Uses: 2-Amino-4-(4-chlorophenyl)thiazole was used in the preparation of 2-chloroacetamido-4-(4-chlorophenyl)thiazole.

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

There total 27 articles about 4-(4-Chlorophenyl)-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: 100.0%

thiourea (17356-08-0) + 4-chlorobenzoylmethyl bromide (536-38-9) → 4-(4-chlorophenyl)-2-thiazolamine (2103-99-3)

Guidance literature:

In ethanol; at 70 ℃; for 1h;

DOI:10.24820/ark.5550190.p010.534

Reference yield: 98.0%

para-chloroacetophenone (99-91-2) + thiourea (17356-08-0) → 4-(4-chlorophenyl)-2-thiazolamine (2103-99-3)

Guidance literature:

With N-iodo-succinimide; In ethanol; at 20 ℃; for 1h;

DOI:10.1016/j.molstruc.2017.05.004

Reference yield: 97.0%

(4-chlorophenyl)acetaldehyde (4251-65-4) + thiourea (17356-08-0) → 4-(4-chlorophenyl)-2-thiazolamine (2103-99-3)

Guidance literature:

With iodine; In dimethyl sulfoxide; at 80 ℃; for 0.0166667h; Green chemistry;

DOI:10.1007/s11164-021-04630-4

upstream raw materials:

para-chloroacetophenone

thiourea

4-chlorobenzoylmethyl bromide

3-Allyl-2-[(Z)-4-(4-chloro-phenyl)-thiazol-2-ylimino]-thiazolidin-4-one

Downstream raw materials:

N-[4-(4'-chlorophenyl)thiazol-2-yl] thiosemicarbazide

Acetic acid (2R,3R,4S,5R,6R)-4,5-diacetoxy-6-acetoxymethyl-2-{3-[4-(4-chloro-phenyl)-thiazol-2-yl]-thioureido}-tetrahydro-pyran-3-yl ester

5,5'-thiobis(4-(4-chlorophenyl)thiazol-2-amine)

[4-(4-Chloro-phenyl)-thiazol-2-yl]-dithiocarbamic acid methyl ester