Product Name

  • Name

    2-Acetyl-2-thiazoline

  • EINECS
  • CAS No. 29926-41-8
  • Article Data4
  • CAS DataBase
  • Density 1.29 g/cm3
  • Solubility
  • Melting Point 26-30 °C(lit.)
  • Formula C5H7NOS
  • Boiling Point 223.8 °C at 760 mmHg
  • Molecular Weight 129.183
  • Flash Point 89.2 °C
  • Transport Information UN 2811 6.1/PG 3
  • Appearance Light yellow liquid
  • Safety 26
  • Risk Codes 22-36
  • Molecular Structure Molecular Structure of 29926-41-8 (2-Acetyl-2-thiazoline)
  • Hazard Symbols HarmfulXn
  • Synonyms Ethanone, 1-(4,5-dihydro-2-thiazolyl)-;1-(4,5-dihydro-1,3-thiazol-2-yl)ethanone;
  • PSA 54.73000
  • LogP 0.15630

Synthetic route

2-acetyl-1,3-thiazolidine
67399-73-9

2-acetyl-1,3-thiazolidine

1-(4,5-dihydro-1,3-thiazol-2-yl)ethanone
29926-41-8

1-(4,5-dihydro-1,3-thiazol-2-yl)ethanone

Conditions
ConditionsYield
With tert.-butylhydroperoxide; ruthenium trichloride; N,N,N,N,-tetramethylethylenediamine In acetonitrile at 20℃; for 4h; Catalytic oxidation;70%
2-ethyl-2-thiazoline
16982-46-0

2-ethyl-2-thiazoline

1-(4,5-dihydro-1,3-thiazol-2-yl)ethanone
29926-41-8

1-(4,5-dihydro-1,3-thiazol-2-yl)ethanone

Conditions
ConditionsYield
Stage #1: 2-ethyl-2-thiazoline With tert.-butylhydroperoxide; selenium(IV) oxide In dichloromethane at 20℃; for 3h;
Stage #2: With triphenylphosphine In dichloromethane at 0℃; for 12h;
40%
2-(1-hydroxyethyl)-4,5-dihydrothiazole

2-(1-hydroxyethyl)-4,5-dihydrothiazole

1-(4,5-dihydro-1,3-thiazol-2-yl)ethanone
29926-41-8

1-(4,5-dihydro-1,3-thiazol-2-yl)ethanone

Conditions
ConditionsYield
In water at 100℃; for 0.166667h; Thermodynamic data; Product distribution; E(a); var. temp., time and pH;
2-mercaptoethylamine hydrochloride
156-57-0

2-mercaptoethylamine hydrochloride

2-oxopropanal
78-98-8

2-oxopropanal

1-(4,5-dihydro-1,3-thiazol-2-yl)ethanone
29926-41-8

1-(4,5-dihydro-1,3-thiazol-2-yl)ethanone

Conditions
ConditionsYield
With potassium phosphate buffer; sodium at 6℃; for 18h; Mechanism;
1-(4,5-dihydro-1,3-thiazol-2-yl)ethanone
29926-41-8

1-(4,5-dihydro-1,3-thiazol-2-yl)ethanone

[1-(4,5-Dihydro-thiazol-2-yl)-eth-(E)-ylidene]-hydrazine

[1-(4,5-Dihydro-thiazol-2-yl)-eth-(E)-ylidene]-hydrazine

Conditions
ConditionsYield
With hydrazine hydrate In ethanol Condensation; Heating;72%
1-(4,5-dihydro-1,3-thiazol-2-yl)ethanone
29926-41-8

1-(4,5-dihydro-1,3-thiazol-2-yl)ethanone

N,N-dimethyl-formamide dimethyl acetal
4637-24-5

N,N-dimethyl-formamide dimethyl acetal

(E)-1-(4,5-dihydrothiazol-2-yl)-3-(dimethylamino)prop-2-en-1-one
1233858-23-5

(E)-1-(4,5-dihydrothiazol-2-yl)-3-(dimethylamino)prop-2-en-1-one

Conditions
ConditionsYield
at 160℃; for 0.333333h; Microwave irradiation;64%
1-(4,5-dihydro-1,3-thiazol-2-yl)ethanone
29926-41-8

1-(4,5-dihydro-1,3-thiazol-2-yl)ethanone

thiosemicarbazide
79-19-6

thiosemicarbazide

2-acetyl-2-thiazoline thiosemicarbazone

2-acetyl-2-thiazoline thiosemicarbazone

Conditions
ConditionsYield
With acetic acid In acetonitrile for 2h; Reflux;52%
1-(4,5-dihydro-1,3-thiazol-2-yl)ethanone
29926-41-8

1-(4,5-dihydro-1,3-thiazol-2-yl)ethanone

dimethyl acetylenedicarboxylate
762-42-5

dimethyl acetylenedicarboxylate

dimethyl 6-methyl-5-oxo-2,3,5,7a-tetrahydropyrrolo[2,1-b]thiazole-7,7a-dicarboxylate
1233858-39-3

dimethyl 6-methyl-5-oxo-2,3,5,7a-tetrahydropyrrolo[2,1-b]thiazole-7,7a-dicarboxylate

Conditions
ConditionsYield
In acetonitrile at 60℃; for 0.25h; Microwave irradiation;19%
1-(4,5-dihydro-1,3-thiazol-2-yl)ethanone
29926-41-8

1-(4,5-dihydro-1,3-thiazol-2-yl)ethanone

3-methyl-5,6-dihydro-thiazolo[3,2-c][1,2,3]triazole

3-methyl-5,6-dihydro-thiazolo[3,2-c][1,2,3]triazole

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 72 percent / hydrazine hydrate / ethanol / Heating
2: 88 percent / PhI(OAc)2 / CH2Cl2 / 0.5 h / 20 °C
View Scheme
1-(4,5-dihydro-1,3-thiazol-2-yl)ethanone
29926-41-8

1-(4,5-dihydro-1,3-thiazol-2-yl)ethanone

ethyl 2-(4-hydrazinophenyl)-2-methylpropanoate
192643-90-6

ethyl 2-(4-hydrazinophenyl)-2-methylpropanoate

ethyl 2-methyl-2-(2-(1,3-thiazol-2-yl)-1H-indol-5-yl)propanoate
1076220-44-4

ethyl 2-methyl-2-(2-(1,3-thiazol-2-yl)-1H-indol-5-yl)propanoate

Conditions
ConditionsYield
With acetic acid; zinc(II) chloride In ethanol

2-Acetyl-2-thiazoline Chemical Properties

Molecule structure of 2-Acetyl-2-thiazoline (CAS NO.29926-41-8):

IUPAC Name: 1-(4,5-Dihydro-1,3-thiazol-2-yl)ethanone 
Molecular Weight: 129.18018 g/mol
Molecular Formula: C5H7NOS 
Density: 1.29 g/cm3 
Melting Point: 26-30 °C(lit.)
Boiling Point: 223.8 °C at 760 mmHg 
Flash Point: 89.2 °C
Index of Refraction: 1.609
Molar Refractivity: 34.56 cm3
Molar Volume: 99.7 cm3
Polarizability: 13.7×10-24 cm3
Surface Tension: 46.1 dyne/cm 
Enthalpy of Vaporization: 46.03 kJ/mol
Vapour Pressure: 0.0942 mmHg at 25 °C
XLogP3-AA: 0.2
H-Bond Acceptor: 2
Rotatable Bond Count: 1
Tautomer Count: 2
Exact Mass: 129.024835
MonoIsotopic Mass: 129.024835
Topological Polar Surface Area: 29.4
Heavy Atom Count: 8
Complexity: 141
Canonical SMILES: CC(=O)C1=NCCS1
InChI: InChI=1S/C5H7NOS/c1-4(7)5-6-2-3-8-5/h2-3H2,1H3
InChIKey: FZOZFDAMVVEZSJ-UHFFFAOYSA-N
Product Categories of 2-Acetyl-2-thiazoline (CAS NO.29926-41-8): ACETYLGROUP; Aroma Chemicals; thiazole Flavor

2-Acetyl-2-thiazoline Safety Profile

Hazard Codes: HarmfulXn
Risk Statements: 22-36 
R22:Harmful if swallowed. 
R36:Irritating to eyes.
Safety Statements: 26 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
RIDADR: UN 2811 6.1/PG 3
WGK Germany: 3

2-Acetyl-2-thiazoline Specification

 2-Acetyl-2-thiazoline (CAS NO.29926-41-8) is also named as Ethanone, 1-(4,5-dihydro-2-thiazolyl)- .

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