CAS No.3755-83-7,4,5-DIPHENYL-2-METHYLTHIAZOLE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	3755-83-7
Name:	4,5-DIPHENYL-2-METHYLTHIAZOLE
Article Data:	10

Formula:	C₁₆H₁₃NS
Molecular Weight:	251.352
Synonyms:	2-Methyl-4,5-diphenylthiazole;4,5-Diphenyl-2-methylthiazole;NSC 59791;
EINECS:	223-161-0
Density:	1.147 g/cm³
Melting Point:	44-50 °C(lit.)
Boiling Point:	370.2 °C at 760 mmHg
Flash Point:	174.4 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	41.13000
LogP:	4.78550

Synthetic route

: 62-55-5
thioacetamide

: 1484-50-0
desyl bromide

: 3755-83-7
4,5-diphenyl-2-methyl-thiazole

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 65℃; for 8h;	97%
In N,N-dimethyl-formamide at 20℃; for 6h; Condensation;	91%
With ethanol

: 1826-16-0
2-methyl-4-phenylthiazole

: 591-50-4
iodobenzene

: 3755-83-7
4,5-diphenyl-2-methyl-thiazole

Conditions

Conditions	Yield
With triphenylphosphine; copper dichloride; lithium tert-butoxide In 5,5-dimethyl-1,3-cyclohexadiene; N,N-dimethyl acetamide at 140℃; for 12h; Inert atmosphere;	73%

: 62-55-5
thioacetamide

: 447-31-4
Desyl chloride

: 3755-83-7
4,5-diphenyl-2-methyl-thiazole

: 451-40-1
phenyl benzyl ketone

: 62-55-5
thioacetamide

: 3755-83-7
4,5-diphenyl-2-methyl-thiazole

Conditions

Conditions	Yield
(i) (bromination), (ii) /BRN= 506006/, EtOH; Multistep reaction;

: 60-35-5
acetamide

: 447-31-4
Desyl chloride

: 3755-83-7
4,5-diphenyl-2-methyl-thiazole

Conditions

Conditions	Yield
(i) P2S5, dioxane, (ii) /BRN= 744474/; Multistep reaction;

: 451-40-1
phenyl benzyl ketone

aq.-ethanolic NaOH-solution: aq.-ethanolic NaOH-solution

: 3755-83-7
4,5-diphenyl-2-methyl-thiazole

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 98 percent / bromine / CHCl3 / 3 h / Heating 2: 97 percent / dimethylformamide / 8 h / 65 °C View Scheme

: 3893-31-0
N-(2-oxo-1,2-diphenylethyl)acetamide

: 3755-83-7
4,5-diphenyl-2-methyl-thiazole

Conditions

Conditions	Yield
With Lawessons reagent at 70℃; for 24h; Inert atmosphere; Ionic liquid;

: 2-oxo-1,2-diphenylethyl thioacetate

: 3755-83-7
4,5-diphenyl-2-methyl-thiazole

Conditions

Conditions	Yield
With ammonium acetate; acetic acid In tetrahydrofuran; toluene for 6h; Reflux;

: 1484-50-0
desyl bromide

: 3755-83-7
4,5-diphenyl-2-methyl-thiazole

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: tetrahydrofuran / 3 h / 20 °C / Inert atmosphere 2: ammonium acetate; acetic acid / tetrahydrofuran; toluene / 6 h / Reflux View Scheme

: 3755-83-7
4,5-diphenyl-2-methyl-thiazole

: iridium(III) chloride trihydrate

: [Ir(cyclometallated 4,5-diphenyl-2-methyl-thiazole)2Cl2]

Conditions

Conditions	Yield
In 2-methoxy-ethanol; water under N2; IrCl3*3H2O (0.500 g) and org. ligand (3.35 mmol) dissolved in 2-methoxyethanol-H2O (3:1); refluxed (24 h); cooled to room temp.; ppt. filtered under N2; washed with 95% EtOH and acetone; dissolved in CH2Cl2; filtered; soln. evapd. to dryness; elem. anal.;	80%

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Specification

The 2-Methyl-4,5-diphenylthiazole ,its cas register number is 3755-83-7.It also can be called as Thiazole,2-methyl-4,5-diphenyl- and the IUPAC name about this chemical is 2-Methyl-4,5-diphenyl-1,3-thiazole .It belongs to the following product categories, such as Heterocyclic Compounds, Building Blocks, Heterocyclic Building Blocks, Thiazoles and so on. It can be used as pharmaceutical intermediates.

Following are the chemical properties about 2-Methyl-4,5-diphenylthiazole :(1)#H bond acceptors: 1 ; (2)#H bond donors: 0 ; (3)#Freely Rotating Bonds: 2 ; (4)Polar Surface Area: 41.13Å² ; (5)Index of Refraction: 1.618 ; (6)Molar Refractivity: 76.73 cm³; (7)Molar Volume: 218.9 cm³ ; (8)Polarizability: 30.42x10^-24cm³; (9)Surface Tension: 45.5 dyne/cm ; (10)Enthalpy of Vaporization: 59.28 kJ/mol ; (11)Vapour Pressure: 2.4E-05 mmHg at 25°C

The 2-Methyl-4,5-diphenylthiazole is a dangerous chemical, because it irritating to eyes, respiratory system and skin. In the using process, you need to wear suitable protective clothing and in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

This chemical can be described computed from structure:
(1)Canonical SMILES: CC1=NC(=C(S1)C2=CC=CC=C2)C3=CC=CC=C3
(2)InChI: InChI=1S/C16H13NS/c1-12-17-15(13-8-4-2-5-9-13)16(18-12)14-10-6-3-7-11-14/h2-11H,1H3
(3)InChIKey: ZFYWCVZNRMSXBT-UHFFFAOYSA-N