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Name |
2-Acetyl-2-thiazoline |
EINECS | N/A |
CAS No. | 29926-41-8 | Density | 1.29 g/cm3 |
PSA | 54.73000 | LogP | 0.15630 |
Solubility | N/A | 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 | Hazard Symbols | Xn | |
Synonyms |
Ethanone, 1-(4,5-dihydro-2-thiazolyl)-;1-(4,5-dihydro-1,3-thiazol-2-yl)ethanone; |
Article Data | 4 |
2-acetyl-1,3-thiazolidine
1-(4,5-dihydro-1,3-thiazol-2-yl)ethanone
Conditions | Yield |
---|---|
With tert.-butylhydroperoxide; ruthenium trichloride; N,N,N,N,-tetramethylethylenediamine In acetonitrile at 20℃; for 4h; Catalytic oxidation; | 70% |
2-ethyl-2-thiazoline
1-(4,5-dihydro-1,3-thiazol-2-yl)ethanone
Conditions | Yield |
---|---|
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% |
1-(4,5-dihydro-1,3-thiazol-2-yl)ethanone
Conditions | Yield |
---|---|
In water at 100℃; for 0.166667h; Thermodynamic data; Product distribution; E(a); var. temp., time and pH; |
2-mercaptoethylamine hydrochloride
2-oxopropanal
1-(4,5-dihydro-1,3-thiazol-2-yl)ethanone
Conditions | Yield |
---|---|
With potassium phosphate buffer; sodium at 6℃; for 18h; Mechanism; |
1-(4,5-dihydro-1,3-thiazol-2-yl)ethanone
Conditions | Yield |
---|---|
With hydrazine hydrate In ethanol Condensation; Heating; | 72% |
1-(4,5-dihydro-1,3-thiazol-2-yl)ethanone
N,N-dimethyl-formamide dimethyl acetal
(E)-1-(4,5-dihydrothiazol-2-yl)-3-(dimethylamino)prop-2-en-1-one
Conditions | Yield |
---|---|
at 160℃; for 0.333333h; Microwave irradiation; | 64% |
1-(4,5-dihydro-1,3-thiazol-2-yl)ethanone
thiosemicarbazide
Conditions | Yield |
---|---|
With acetic acid In acetonitrile for 2h; Reflux; | 52% |
1-(4,5-dihydro-1,3-thiazol-2-yl)ethanone
dimethyl acetylenedicarboxylate
dimethyl 6-methyl-5-oxo-2,3,5,7a-tetrahydropyrrolo[2,1-b]thiazole-7,7a-dicarboxylate
Conditions | Yield |
---|---|
In acetonitrile at 60℃; for 0.25h; Microwave irradiation; | 19% |
1-(4,5-dihydro-1,3-thiazol-2-yl)ethanone
Conditions | Yield |
---|---|
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
ethyl 2-(4-hydrazinophenyl)-2-methylpropanoate
ethyl 2-methyl-2-(2-(1,3-thiazol-2-yl)-1H-indol-5-yl)propanoate
Conditions | Yield |
---|---|
With acetic acid; zinc(II) chloride In ethanol |
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
Hazard Codes: Xn
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 (CAS NO.29926-41-8) is also named as Ethanone, 1-(4,5-dihydro-2-thiazolyl)- .