2-Amino-5-methyl-4-phenylthiazole

Base Information

• Chemical Name: 2-Amino-5-methyl-4-phenylthiazole
• CAS No.: 30709-67-2
• Molecular Formula: C10H10N2S
• Molecular Weight: 190.269
• Hs Code.: 2934100090
• European Community (EC) Number: 626-279-4
• NSC Number: 54435
• UNII: LE89AC2WOO
• DSSTox Substance ID: DTXSID60184734
• Nikkaji Number: J1.397.375J
• Wikidata: Q72495391
• ChEMBL ID: CHEMBL172066
• Mol file: 30709-67-2.mol

Synonyms:30709-67-2;2-Amino-5-methyl-4-phenylthiazole;5-Methyl-4-phenyl-1,3-thiazol-2-amine;5-methyl-4-phenylthiazol-2-amine;5-Methyl-4-phenyl-thiazol-2-ylamine;Thiazole, 2-amino-5-methyl-4-phenyl-;5-Methyl-4-phenyl-2-thiazolamine;2-Amino-4-phenyl-5-methylthiazole;2-Thiazolamine,5-methyl-4-phenyl-;5-Methyl-4-phenylthiazol-2-ylamine;NSC 54435;LE89AC2WOO;BRN 0137628;2-amino-5-methyl-4-phenyl Thiazole;2-amino-5-methyl-4-phenyl-Thiazole;MFCD00617257;NSC-54435;4-27-00-04978 (Beilstein Handbook Reference);NSC54435;2-Thiazolamine, 5-methyl-4-phenyl-;UNII-LE89AC2WOO;Cambridge id 5545521;Oprea1_228239;MLS000718867;SCHEMBL330423;CHEMBL172066;DTXSID60184734;HMS2731G12;5-methyl-4-phenyl-thiazol-2-amine;2-amino-4-phenyl-5-methyl thiazole;STK397379;AKOS000104232;FS-1374;NCGC00245446-01;SMR000291135;2-Amino-5-methyl-4-phenyl-1,3-thiazole;2-Amino-5-methyl-4-phenylthiazole, 97%;5-methyl-4-phenyl-1,3-thiazol-2-ylamine;LS-150785;5-Methyl-4-phenyl-1,3-thiazol-2-amine #;BB 0217619;FT-0638934;EN300-25204;D95906;A820577;AE-848/01284054;J-018078;Z48847685;F0010-0137

Chemical Property of 2-Amino-5-methyl-4-phenylthiazole

Chemical Property:

• Vapor Pressure: 4.62E-05mmHg at 25°C
• Melting Point: 122-126 °C
• Refractive Index: 1.642
• Boiling Point: 349.7 °C at 760 mmHg
• PKA: 4.81±0.10(Predicted)
• Flash Point: 165.3 °C
• PSA: 67.15000
• Density: 1.219 g/cm³
• LogP: 3.28190
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 190.05646950
• Heavy Atom Count: 13
• Complexity: 168

Purity/Quality:

98%,99%, ^*data from raw suppliers

5-Methyl-4-phenyl-1,3-thiazol-2-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 22-37/38-41
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(N=C(S1)N)C2=CC=CC=C2

Technology Process of 2-Amino-5-methyl-4-phenylthiazole

There total 20 articles about 2-Amino-5-methyl-4-phenylthiazole 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: 98.0%

→ 2-amino-5-methyl-4-phenylthiazole (30709-67-2)

Guidance literature:

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

Reference yield: 96.0%

2-bromo-1-phenyl-1-propanone (2114-00-3) + thiourea (17356-08-0) → 2-amino-5-methyl-4-phenylthiazole (30709-67-2)

Guidance literature:

In ethanol; at 50 ℃; for 0.0833333h; microwave irradiation;

DOI:10.1016/j.tetlet.2006.05.053

Reference yield: 78.0%

ammonium thiocyanate + 2-bromo-1-phenyl-1-propanone (2114-00-3) → 2-amino-5-methyl-4-phenylthiazole (30709-67-2)

Guidance literature:

With 1-methyl-1H-imidazole; In water; isopropyl alcohol; at 20 ℃; for 1.5h;

DOI:10.1016/j.tetlet.2012.07.080

upstream raw materials:

1-bromo-1-phenyl-2-propanone

thiourea

1-chloro-1-phenylpropan-2-one

1-phenyl-propan-1-one

Downstream raw materials:

1-(3-chlorophenyl)-3-methyl-4-(1-((5-methyl-4-phenylthiazol-2-yl)imino)ethyl)-1H-pyrazol-5-ol

4-((5-methyl-4-phenylthiazol-2-yl)amino)-4-oxobutanoic acid

C₁₅H₁₆N₂O₃S

2-[4-(ethylsulfonyl)phenyl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide

Refernces

• 1、 Zhang, Qian,Wu, Jiefei,Pan, Zexi,Zhang, Wen,Zhou, Wei. "A one-pot synthesis of 2-aminothiazoles via the coupling of ketones and thiourea using I2/dimethyl sulfoxide as a catalytic oxidative system". . p. 89 - 94. Retrieved 2020/06/17.
• 2、 Dai, Weiyang,Samanta, Soma,Xue, Ding,Petrunak, Elyse M.,Stuckey, Jeanne A.,Han, Yanyan,Sun, Duxin,Wu, Yong,Neamati, Nouri. "Structure-Based Design of N-(5-Phenylthiazol-2-yl)acrylamides as Novel and Potent Glutathione S-Transferase Omega 1 Inhibitors". . p. 3068 - 3087. Retrieved 2019/03/07.