Product Name

  • Name

    METHYL 4-METHYLTHIAZOLE-2-CARBOXYLATE

  • EINECS
  • CAS No. 14542-15-5
  • Article Data3
  • CAS DataBase
  • Density 1.245 g/cm3
  • Solubility
  • Melting Point 62-67°C
  • Formula C6H7NO2S
  • Boiling Point 233.933 °C at 760 mmHg
  • Molecular Weight 157.193
  • Flash Point 95.28 °C
  • Transport Information
  • Appearance
  • Safety 26
  • Risk Codes 36
  • Molecular Structure Molecular Structure of 14542-15-5 (METHYL 4-METHYLTHIAZOLE-2-CARBOXYLATE)
  • Hazard Symbols Xi
  • Synonyms Methyl 4-methylthiazole-2-carboxylate;
  • PSA 67.43000
  • LogP 1.23810

Synthetic route

methanol
67-56-1

methanol

4-methyl-1,3-thiazole-2-carboxylic acid
14542-16-6

4-methyl-1,3-thiazole-2-carboxylic acid

methyl 4-methyl-1,3-thiazole-2-carboxylate
14542-15-5

methyl 4-methyl-1,3-thiazole-2-carboxylate

Conditions
ConditionsYield
With sulfuric acid at 20℃; for 240h;
With hydrogenchloride at 20℃;2.2 g
4-Methylthiazol-2-carbonsaeure-ethylester
7210-73-3

4-Methylthiazol-2-carbonsaeure-ethylester

methyl 4-methyl-1,3-thiazole-2-carboxylate
14542-15-5

methyl 4-methyl-1,3-thiazole-2-carboxylate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: KOH, water / 0.08 h / Heating
2: H2SO4 / 240 h / 20 °C
View Scheme
4-Methylthiazole
693-95-8

4-Methylthiazole

methanolic hydrogen chloride

methanolic hydrogen chloride

methyl 4-methyl-1,3-thiazole-2-carboxylate
14542-15-5

methyl 4-methyl-1,3-thiazole-2-carboxylate

Conditions
ConditionsYield
With n-butyllithium In tetrahydrofuran; methanol; diethyl ether; hexane
methyl 4-methyl-1,3-thiazole-2-carboxylate
14542-15-5

methyl 4-methyl-1,3-thiazole-2-carboxylate

4-methyl-1,3-thiazole-2-carbohydrazide
100516-76-5

4-methyl-1,3-thiazole-2-carbohydrazide

Conditions
ConditionsYield
With hydrazine hydrate In ethanol at 20℃; for 14h; Inert atmosphere;82%
With hydrazine hydrate In methanol for 1.5h;76%
With hydrazine hydrate In methanol
methyl 4-methyl-1,3-thiazole-2-carboxylate
14542-15-5

methyl 4-methyl-1,3-thiazole-2-carboxylate

O-methyl 4-methylthiazole-2-carbothioate

O-methyl 4-methylthiazole-2-carbothioate

Conditions
ConditionsYield
With Lawessons reagent In para-xylene for 24h; Inert atmosphere; Reflux;74%
methyl 4-methyl-1,3-thiazole-2-carboxylate
14542-15-5

methyl 4-methyl-1,3-thiazole-2-carboxylate

6-chloro-3-(4-methyl-1,3-thiazol-2-yl)-7,8,9,10-tetrahydro-7,10-ethano[1,2,4]triazolo[3,4-a]phthalazine
848774-81-2

6-chloro-3-(4-methyl-1,3-thiazol-2-yl)-7,8,9,10-tetrahydro-7,10-ethano[1,2,4]triazolo[3,4-a]phthalazine

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 76 percent / NH2NH2*H2O / methanol / 1.5 h
2: 17 percent / Et3N*HCl / xylene / 96 h / Heating
View Scheme
methyl 4-methyl-1,3-thiazole-2-carboxylate
14542-15-5

methyl 4-methyl-1,3-thiazole-2-carboxylate

C21H20N6OS

C21H20N6OS

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: 76 percent / NH2NH2*H2O / methanol / 1.5 h
2.1: 17 percent / Et3N*HCl / xylene / 96 h / Heating
3.1: NaH / dimethylformamide / 20 °C
3.2: dimethylformamide / 20 °C
View Scheme
methyl 4-methyl-1,3-thiazole-2-carboxylate
14542-15-5

methyl 4-methyl-1,3-thiazole-2-carboxylate

(R)-2-(7-(2,4-dimethoxybenzyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-4-methylthiazole

(R)-2-(7-(2,4-dimethoxybenzyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-4-methylthiazole

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: hydrazine hydrate / ethanol / 14 h / 20 °C / Inert atmosphere
2: methanol / 8 h / 60 - 70 °C / Inert atmosphere
View Scheme
methyl 4-methyl-1,3-thiazole-2-carboxylate
14542-15-5

methyl 4-methyl-1,3-thiazole-2-carboxylate

(R)-(8-methyl-3-(4-methylthiazol-2-yl)-5,6-dihydro-[1,2,4]-triazolo[4,3-a]pyrazin-7(8H)-yl)(4-(thiophen-2-yl)phenyl)methanone
1429557-35-6

(R)-(8-methyl-3-(4-methylthiazol-2-yl)-5,6-dihydro-[1,2,4]-triazolo[4,3-a]pyrazin-7(8H)-yl)(4-(thiophen-2-yl)phenyl)methanone

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: hydrazine hydrate / ethanol / 14 h / 20 °C / Inert atmosphere
2.1: methanol / 8 h / 60 - 70 °C / Inert atmosphere
3.1: trifluoroacetic acid / dichloromethane / 0.25 h / 0 - 20 °C / Inert atmosphere
3.2: 0.5 h / Inert atmosphere
4.1: 4-methyl-morpholine / dichloromethane / 0.5 h / 0 - 20 °C / Inert atmosphere
4.2: 0.17 h / 0 - 20 °C / Inert atmosphere
View Scheme
methyl 4-methyl-1,3-thiazole-2-carboxylate
14542-15-5

methyl 4-methyl-1,3-thiazole-2-carboxylate

(R)-4-methyl-2-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)thiazole

(R)-4-methyl-2-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)thiazole

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: hydrazine hydrate / ethanol / 14 h / 20 °C / Inert atmosphere
2.1: methanol / 8 h / 60 - 70 °C / Inert atmosphere
3.1: trifluoroacetic acid / dichloromethane / 0.25 h / 0 - 20 °C / Inert atmosphere
3.2: 0.5 h / Inert atmosphere
View Scheme
methyl 4-methyl-1,3-thiazole-2-carboxylate
14542-15-5

methyl 4-methyl-1,3-thiazole-2-carboxylate

C13H10N2S2

C13H10N2S2

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: Lawessons reagent / para-xylene / 24 h / Inert atmosphere; Reflux
2.1: C19H34O8Rh2 / chloroform / 1 h / 70 °C / Inert atmosphere; Glovebox; Molecular sieve; Sealed tube
2.2: 2 h / 70 °C / Inert atmosphere; Glovebox; Sealed tube
View Scheme

Methyl 4-methylthiazole-2-carboxylate Specification

The Methyl 4-methylthiazole-2-carboxylate ,its cas register number is 14542-15-5.It also can be called as 2-Thiazolecarboxylicacid, 4-methyl-, methyl ester and the Systematic name about this chemicals is methyl 4-methyl-1,3-thiazole-2-carboxylate .

Following are the chemical properties about Methyl 4-methylthiazole-2-carboxylate : (1)#H bond acceptors: 3 ; (2)#H bond donors: 0 ; (3)#Freely Rotating Bonds: 2 ; (4)Polar Surface Area: 67.43 Å2 ; (5)Index of Refraction: 1.535 ; (6)Molar Refractivity: 39.327 cm3 ; (7)Molar Volume: 126.305 cm3; (8)Surface Tension: 44.969 dyne/cm ; (9)Enthalpy of Vaporization: 47.066 kJ/mol ; (10)Vapour Pressure: 0.054 mmHg at 25°C

This chemicals can be described computed from structure:
(1)SMILES: Cc1csc(n1)C(=O)OC
(2)InChI: InChI=1/C6H7NO2S/c1-4-3-10-5(7-4)6(8)9-2/h3H,1-2H3
(3)InChIKey: QYBUZTKTDPPXJR-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C6H7NO2S/c1-4-3-10-5(7-4)6(8)9-2/h3H,1-2H3
(5)Std. InChIKey: QYBUZTKTDPPXJR-UHFFFAOYSA-N

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