2-Methyl-4,5-diphenylthiazole

Base Information

• Chemical Name: 2-Methyl-4,5-diphenylthiazole
• CAS No.: 3755-83-7
• Molecular Formula: C16H13NS
• Molecular Weight: 251.352
• Hs Code.: 2934100090
• European Community (EC) Number: 223-161-0
• NSC Number: 59791
• DSSTox Substance ID: DTXSID30190983
• Nikkaji Number: J37.313C
• Wikidata: Q72490356
• ChEMBL ID: CHEMBL1973954
• Mol file: 3755-83-7.mol

Synonyms:2-Methyl-4,5-diphenylthiazole;3755-83-7;4,5-Diphenyl-2-methylthiazole;2-methyl-4,5-diphenyl-1,3-thiazole;2-Methyl-4,5-diphenyl-thiazole;EINECS 223-161-0;NSC59791;Thiazole, 2-methyl-4,5-diphenyl-;SCHEMBL526264;C16H13NS;CHEMBL1973954;DTXSID30190983;BBL003788;CCG-15082;MFCD00186396;NSC 59791;NSC-59791;STK396444;AKOS000730190;NCGC00326824-01;AC-16583;AS-59847;NCI60_004457;CS-0179728;EU-0066734;FT-0617215;M1705;D91523;AB01138839-03;A874070;SR-01000389016;SR-01000389016-1;Z48850642;F1143-6185

Chemical Property of 2-Methyl-4,5-diphenylthiazole

Chemical Property:

• Vapor Pressure: 2.4E-05mmHg at 25°C
• Melting Point: 44-50 °C(lit.)
• Refractive Index: 1.618
• Boiling Point: 370.2 °C at 760 mmHg
• Flash Point: 174.4 °C
• PSA: 41.13000
• Density: 1.147 g/cm³
• LogP: 4.78550
• Solubility.: soluble in Methanol
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 251.07687059
• Heavy Atom Count: 18
• Complexity: 256

Purity/Quality:

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

2-Methyl-4,5-diphenyl-1,3-thiazole ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=NC(=C(S1)C2=CC=CC=C2)C3=CC=CC=C3

Technology Process of 2-Methyl-4,5-diphenylthiazole

There total 10 articles about 2-Methyl-4,5-diphenylthiazole 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: 97.0%

thioacetamide (62-55-5) + desyl bromide (1484-50-0) → 4,5-diphenyl-2-methyl-thiazole (3755-83-7)

Guidance literature:

In N,N-dimethyl-formamide; at 65 ℃; for 8h;

DOI:10.1002/1099-0690(200207)2002:13<2126::AID-EJOC2126>3.0.CO;2-A

Reference yield: 73.0%

2-methyl-4-phenylthiazole (1826-16-0) + iodobenzene (591-50-4) → 4,5-diphenyl-2-methyl-thiazole (3755-83-7)

Guidance literature:

With triphenylphosphine; copper dichloride; lithium tert-butoxide; In 5,5-dimethyl-1,3-cyclohexadiene; N,N-dimethyl acetamide; at 140 ℃; for 12h; Inert atmosphere;

DOI:10.1002/aoc.3263

Reference yield:

phenyl benzyl ketone (451-40-1) → 4,5-diphenyl-2-methyl-thiazole (3755-83-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 98 percent / bromine / CHCl₃ / 3 h / Heating

2: 97 percent / dimethylformamide / 8 h / 65 °C

With bromine; In chloroform; N,N-dimethyl-formamide;

DOI:10.1002/1099-0690(200207)2002:13<2126::AID-EJOC2126>3.0.CO;2-A

upstream raw materials:

thioacetamide

Desyl chloride

desyl bromide

phenyl benzyl ketone

Downstream raw materials:

C₁₆H₁₅N₃S

2-(4-dimethylamino-styryl)-3-methyl-4,5-diphenyl-thiazolium; iodide

5-[2-(3-ethyl-4,5-diphenyl-3H-thiazol-2-ylidene)-ethylidene]-3,3'-dipentyl-2'-thioxo-dihydro-[2,5']bithiazolylidene-4,4'-dione

2-[(4-dimethylamino-phenylimino)-methyl]-3-methyl-4,5-diphenyl-thiazolium; iodide

Refernces

• 1、 Venkateswararao, Eeda,Jalani, Hitesh B.,Manoj,, Manickam,Jung, Sang-Hun. "Exploration and Optimization of an Efficient One-pot Sequential Synthesis of Di/tri-substituted Thiazoles from α-Bromoketones, Thioacids Salt, and Ammonium Acetate". supporting information. p. 1449 - 1456. Retrieved 2016/09/24.
• 2、 Moreno, Isabel,Tellitu, Imanol,Dominguez, Esther,SanMartin, Raul. "A simple route to new phenanthro- and phenanthroid-fused thiazoles by a PIFA-mediated (hetero)biaryl coupling reaction". . p. 2126 - 2135. Retrieved 2007/10/03.