4-Methyl-2-phenylthiazole

Base Information

• Chemical Name: 4-Methyl-2-phenylthiazole
• CAS No.: 1826-17-1
• Molecular Formula: C10H9 N S
• Molecular Weight: 175.254
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID70338903
• Nikkaji Number: J46.132F
• Wikidata: Q63408916
• Mol file: 1826-17-1.mol

Synonyms:4-METHYL-2-PHENYLTHIAZOLE;1826-17-1;4-Methyl-2-phenyl-1,3-thiazole;Thiazole, 4-methyl-2-phenyl-;4-methyl-2-phenyl-thiazole;SCHEMBL87128;DTXSID70338903;MFCD00272328;4-Methyl-2-phenyl-1,3-thiazole #;AKOS015899564;CS-10955;CS-0129073;FT-0748156;Q63408916

Chemical Property of 4-Methyl-2-phenylthiazole

Chemical Property:

• Vapor Pressure: 0.00252mmHg at 25°C
• Melting Point: 29.5 °C
• Refractive Index: 1.6270
• Boiling Point: 296.5°C at 760 mmHg
• PKA: 2.80±0.10(Predicted)
• Flash Point: 136.9°C
• PSA: 41.13000
• Density: 1.14g/cm³
• LogP: 3.11850
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 175.04557046
• Heavy Atom Count: 12
• Complexity: 143

Purity/Quality:

98%Min ^*data from raw suppliers

4-Methyl-2-phenyl-thiazole >95% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CSC(=N1)C2=CC=CC=C2

Technology Process of 4-Methyl-2-phenylthiazole

There total 28 articles about 4-Methyl-2-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: 95.0%

4-methyl-2-phenylthiazoline (18732-72-4) → 4-methyl-2-phenyl-thiazole (1826-17-1)

Guidance literature:

With manganese(IV) oxide; In 1,2-dichloro-ethane; for 12h; Inert atmosphere; Reflux;

DOI:10.3390/molecules14124858

Reference yield: 81.0%

5-bromo-4-methyl-2-phenyl-1,3-thiazole (28771-82-6) → 4-methyl-2-phenyl-thiazole (1826-17-1)

Guidance literature:

With styrene; triethylamine; palladium diacetate; In N,N-dimethyl-formamide; at 100 ℃; for 48h; sealed tube;

Reference yield: 75.0%

4-Methylthiazole (693-95-8) + iodobenzene (591-50-4) → 4-methyl-2-phenyl-thiazole (1826-17-1)

Guidance literature:

With palladium diacetate; copper(II) trifluoroacetate; lithium tert-butoxide; In N,N-dimethyl-formamide; at 130 ℃; for 3h; Reagent/catalyst; Solvent; Time; regioselective reaction;

DOI:10.1039/c5ra08703a

upstream raw materials:

4-methyl-2-(phenyl)-1,3-thiazol-5-carboxylic acid

benzonitrile

1-mercaptopropan-2-one

ethanol

Downstream raw materials:

1,2-bis(4-methyl-2-phenylthiazol-5-yl)hexafluoro-1-cyclopentene

C₁₅H₈ClF₆NS

butyl (E)-3-(4-methyl-2-phenylthiazol-5-yl)acrylate

2-methoxy-6-(4-methyl-2-phenylthiazol-5-yl)-pyridine

Refernces

• 1、 Okita, Toshimasa,Muto, Kei,Yamaguchi, Junichiro. "Decarbonylative Methylation of Aromatic Esters by a Nickel Catalyst". supporting information. p. 3132 - 3135. Retrieved 2018/05/28.
• 2、 Muto, Kei,Hatakeyama, Taito,Yamaguchi, Junichiro,Itami, Kenichiro. "C-H arylation and alkenylation of imidazoles by nickel catalysis: Solvent-accelerated imidazole C-H activation". . p. 6792 - 6798. Retrieved 2015/11/24.