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| CAS No.: | 30165-96-9 |
|---|---|
| Name: | 3-Chloro-4-morpholino-1,2,5-thiadiazole |
| Article Data: | 9 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H8ClN3OS |
| Molecular Weight: | 205.668 |
| Synonyms: | 1,2,5-Thiadiazole,morpholine deriv.;3-Morpholino-4-chloro-1,2,5-thiadiazole;4-(4-Chloro-1,2,5-thiadiazol-3-yl)morpholine; |
| EINECS: | 250-077-1 |
| Density: | 1.462 g/cm3 |
| Melting Point: | 44-47 °C(lit.) |
| Boiling Point: | 307.8 °C at 760 mmHg |
| Flash Point: | 139.9 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:; ">  Xi:; |
| Safety: | 22-24/25 |
| PSA: | 66.49000 |
| LogP: | 1.09310 |
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- 110-91-8
morpholine
- 5728-20-1
3,4-dichloro-1,2,5-thiadiazole
- 30165-96-9
3-Morpholino-4-chloro-1,2,5-thiadiazole
| Conditions | Yield |
|---|---|
| 98% | |
| at 110℃; for 2.5h; Inert atmosphere; | 95% |
| at 110 - 120℃; | 90% |
- 171852-92-9
morpholineglyoxime
- 30165-96-9
3-Morpholino-4-chloro-1,2,5-thiadiazole
| Conditions | Yield |
|---|---|
| With pyridine; disulfur dichloride In acetonitrile at -30 - 82℃; for 24h; | 32% |
- 30165-96-9
3-Morpholino-4-chloro-1,2,5-thiadiazole
- 124-41-4
sodium methylate
| Conditions | Yield |
|---|---|
| In methanol for 12h; Inert atmosphere; Reflux; | 95% |
- 30165-96-9
3-Morpholino-4-chloro-1,2,5-thiadiazole
- 30165-97-0
3-hydroxy-4-(N-morpholino)-1,2,5-thiadiazole
| Conditions | Yield |
|---|---|
| With sodium hydroxide In dimethyl sulfoxide | 93% |
| Stage #1: 3-Morpholino-4-chloro-1,2,5-thiadiazole With potassium hydroxide In water; dimethyl sulfoxide Reflux; Inert atmosphere; Stage #2: With hydrogenchloride In water; dimethyl sulfoxide at 0℃; Inert atmosphere; | 93% |
| With potassium hydroxide In water; dimethyl sulfoxide Reflux; | 89% |
- 30165-96-9
3-Morpholino-4-chloro-1,2,5-thiadiazole
- 1737-26-4
1-(4-trifluorophenyl)ethanol
| Conditions | Yield |
|---|---|
| With C52H70NO5PPdS; sodium t-butanolate In tetrahydrofuran at 20℃; for 18h; Sealed tube; Schlenk technique; | 86% |
- 30165-96-9
3-Morpholino-4-chloro-1,2,5-thiadiazole
- 1192-96-7
potassium p-cresolate
| Conditions | Yield |
|---|---|
| With copper at 180 - 190℃; for 2h; | 80% |
- 30165-96-9
3-Morpholino-4-chloro-1,2,5-thiadiazole
- 85665-60-7
(R,S)-5-(hydroxymethyl)-3-tert-butyloxazolidin-2-one
- 56526-15-9
(S)-5-((4-morpholino-1,2,5-thiadiazol-3-yloxy)-methyl)-3-tert-butyloxazolidin-2-one
| Conditions | Yield |
|---|---|
| With potassium tert-butylate In tert-butyl alcohol at 25℃; for 12h; | 75% |
- 30165-96-9
3-Morpholino-4-chloro-1,2,5-thiadiazole
- 100-58-3
phenylmagnesium bromide
| Conditions | Yield |
|---|---|
| Stage #1: 3-Morpholino-4-chloro-1,2,5-thiadiazole With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; palladium diacetate In tetrahydrofuran; toluene Kumada Cross-Coupling; Inert atmosphere; Sealed tube; Stage #2: phenylmagnesium bromide In tetrahydrofuran; toluene at 50℃; for 1h; Kumada Cross-Coupling; Inert atmosphere; Sealed tube; chemoselective reaction; | 67% |
- 30165-96-9
3-Morpholino-4-chloro-1,2,5-thiadiazole
- 1122-93-6
potassium p-methoxyphenolate
| Conditions | Yield |
|---|---|
| With copper at 170 - 180℃; for 2h; | 63% |
- 30165-96-9
3-Morpholino-4-chloro-1,2,5-thiadiazole
- 3235-09-4
potassium o-cresolate
| Conditions | Yield |
|---|---|
| With copper at 180 - 190℃; for 2h; | 56% |
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Chemistry
Molecular Structure of Morpholine,4-(4-chloro-1,2,5-thiadiazol-3-yl)- (CAS NO.30165-96-9):
.gif)
IUPAC Name: 4-(4-Chloro-1,2,5-thiadiazol-3-yl)morpholine
Molecular Formula: C6H8ClN3OS
Molecular Weight: 205.67
EINECS: 250-077-1
H bond acceptors: 4
H bond donors: 0
Freely Rotating Bonds: 1
Polar Surface Area: 66.49 Å2
Index of Refraction: 1.591
Molar Refractivity: 47.52 cm3
Molar Volume: 140.6 cm3
Surface Tension: 61.7 dyne/cm
Density: 1.462 g/cm3
Flash Point: 139.9 °C
Enthalpy of Vaporization: 54.84 kJ/mol
Boiling Point: 307.8 °C at 760 mmHg
Melting point: 44-47 °C(lit.)
Vapour Pressure: 0.000711 mmHg at 25 °C
SMILES: Clc2nsnc2N1CCOCC1
InChI: InChI=1/C6H8ClN3OS/c7-5-6(9-12-8-5)10-1-3-11-4-2-10/h1-4H2
InChIKey: LAUCCQWGVCJGFT-UHFFFAOYAO
Product Categories: Aromatic Morpholines; Halides; Oxadiazoles & Thiadiazoles; API intermediates; Oxadiazoles & Thiadiazoles; Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Thiadiazoles; ThiadiazolesHeterocyclic Building Blocks
Safety Profile
Safety information of Morpholine,4-(4-chloro-1,2,5-thiadiazol-3-yl)- (CAS NO.30165-96-9):
Hazard Codes: 
Xi
Safety Statements: 22-24/25
S21: When using do not smoke.
S24: Avoid contact with skin.
WGK Germany: 3
HazardClass: IRRITANT
Specification
Synonyms of Morpholine,4-(4-chloro-1,2,5-thiadiazol-3-yl)- (CAS NO.30165-96-9) are 3-Chloro-4-N-morpholine-1,2,5-thiadiazole ; 3-Morpholino-4-chloro-1,2,5-thiadiazole ; 4-(4-Chloro-1,2,5-thiadiazol-3-yl)morpholine .