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CAS No.: | 71868-10-5 |
---|---|
Name: | 2-Methyl-4'-(methylthio)-2-morpholinopropiophenone |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C15H21NO2S |
Molecular Weight: | 279.403 |
Synonyms: | 2-Methyl-1-[4-(methylthio)phenyl]-2-(4-morpholinyl)-1-propanone;2-Methyl-1-[4-(methylthio)phenyl]-2-morpholino-1-propanone;2-Methyl-1-[4-(methylthio)phenyl]-2-morpholinopropane-1-one;2-Methyl[4-(methylthio)phenyl]-2-morpholinopropan-1-one;Caccure 907;GenocurePMP;I 907;IR 907;Irg 907;Irgacure 907;Irgacure I 907;Irganox 907;Photocure 907;Runtecure 1107;a-Methyl-4-(methylmercapto)-a-morpholinopropiophenone; |
EINECS: | 400-600-6 |
Density: | 1.15 g/cm3 |
Melting Point: | 74-76 °C |
Boiling Point: | 420.1 °C at 760 mmHg |
Flash Point: | 207.9 °C |
Solubility: | 17.9mg/L at 20℃ |
Appearance: | White to yellow powder |
Hazard Symbols: | Xn,N |
Risk Codes: | 22-51/53 |
Safety: | 22-61 |
Transport Information: | UN 3077 9/PG 3 |
PSA: | 54.84000 |
LogP: | 2.63990 |
morpholine
2-methyl-1-[4-(methylthio)phenyl]-2-morpholinopropan-1-one
Conditions | Yield |
---|---|
With calcium hydroxide at 20 - 138℃; for 20h; | 90.2% |
With tetra(n-butyl)ammonium hydrogensulfate; sodium hydroxide for 8h; Reflux; | 43% |
at 105 - 110℃; for 20h; Temperature; | 119.3 g |
at 105 - 115℃; for 20h; | 112.57 g |
With water at 105℃; for 12h; Reagent/catalyst; Large scale; |
1-methoxy-4-methylsulfanyl-benzene
2-methyl-1-[4-(methylthio)phenyl]-2-morpholinopropan-1-one
Conditions | Yield |
---|---|
With bis(1,5-cyclooctadiene)nickel (0); 1,2-bis-(dicyclohexylphosphino)ethane In o-xylene at 140℃; for 24h; Glovebox; Inert atmosphere; | 74% |
morpholine
2-methyl-1-(4-(methylthio)phenyl)-propan-1-one
2-methyl-1-[4-(methylthio)phenyl]-2-morpholinopropan-1-one
Conditions | Yield |
---|---|
Stage #1: 2-methyl-1-(4-(methylthio)phenyl)-propan-1-one With hexachloroethane; sodium methylate In methanol at 40℃; for 24h; Stage #2: morpholine With tetra(n-butyl)ammonium hydrogensulfate; sodium hydroxide for 10h; Reagent/catalyst; Temperature; Reflux; | 61% |
morpholine
2-bromo-2-methyl-1-[4-(methylsulfanyl)phenyl]propan-1-one
2-methyl-1-[4-(methylthio)phenyl]-2-morpholinopropan-1-one
Conditions | Yield |
---|---|
Stage #1: morpholine With aluminum (III) chloride In 1,2-dichloro-ethane at 40℃; for 0.5h; Stage #2: 2-bromo-2-methyl-1-[4-(methylsulfanyl)phenyl]propan-1-one In 1,2-dichloro-ethane at 40℃; for 6h; | 60.57% |
2-methyl-1-(4-(methylthio)phenyl)-propan-1-one
2-methyl-1-[4-(methylthio)phenyl]-2-morpholinopropan-1-one
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1.1: bromine / 2 h / 20 - 30 °C 2.1: aluminum (III) chloride / 1,2-dichloro-ethane / 0.5 h / 40 °C 2.2: 6 h / 40 °C View Scheme | |
Multi-step reaction with 3 steps 1: bromine / 2 h / 20 - 30 °C 2: 1 h / 20 °C 3: 20 h / 105 - 115 °C View Scheme | |
Multi-step reaction with 2 steps 1: hexachloroethane / 20 °C 2: sodium hydroxide; tetra(n-butyl)ammonium hydrogensulfate / 8 h / Reflux View Scheme |
methyl-phenyl-thioether
2-methyl-1-[4-(methylthio)phenyl]-2-morpholinopropan-1-one
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1.1: aluminum (III) chloride / dichloromethane / 7.5 h / 15 - 35 °C 2.1: bromine / 2 h / 20 - 30 °C 3.1: aluminum (III) chloride / 1,2-dichloro-ethane / 0.5 h / 40 °C 3.2: 6 h / 40 °C View Scheme | |
Multi-step reaction with 4 steps 1: aluminum (III) chloride / dichloromethane / 7.5 h / 15 - 35 °C 2: bromine / 2 h / 20 - 30 °C 3: 1 h / 20 °C 4: 20 h / 105 - 115 °C View Scheme |
2-methyl-1-[4-(methylthio)phenyl]-2-morpholinopropan-1-one
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: methanol / 1 h / 20 °C 2: 20 h / 105 - 115 °C View Scheme |
2-bromo-2-methyl-1-[4-(methylsulfanyl)phenyl]propan-1-one
2-methyl-1-[4-(methylthio)phenyl]-2-morpholinopropan-1-one
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: morpholine; sodium methylate / 28 - 85 °C / 760.05 Torr / Large scale 2: water / 12 h / 105 °C / Large scale View Scheme |
terephthalonitrile
2-methyl-1-[4-(methylthio)phenyl]-2-morpholinopropan-1-one
Conditions | Yield |
---|---|
With bis(1,5-cyclooctadiene)nickel (0); 1,2-bis-(dicyclohexylphosphino)ethane In o-xylene at 140℃; for 24h; Glovebox; Inert atmosphere; | 94% |
2-methyl-1-[4-(methylthio)phenyl]-2-morpholinopropan-1-one
Cyclohexanethiol
Conditions | Yield |
---|---|
With bis(1,5-cyclooctadiene)nickel (0); lithium hexamethyldisilazane; 1,2-bis-(dicyclohexylphosphino)ethane In toluene at 100℃; for 12h; Glovebox; Inert atmosphere; | 91% |
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IUPAC Name: 2-Methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropan-1-one
Following is the structure of 2-Methyl-4'-(methylthio)-2-morpholinopropiophenone (CAS NO.71868-10-5):
Empirical Formula: C15H21NO2S
Molecular Weight: 279.3977 g/mol
EINECS: 400-600-6
Index of Refraction: 1.574
Molar Refractivity: 80.13 cm3
Molar Volume: 242.7 cm3
Density: 1.15 g/cm3
Flash Point: 207.9 °C
Melting point: 74-76 °C
Surface Tension: 46.4 dyne/cm
Enthalpy of Vaporization: 67.39 kJ/mol
Boiling Point: 420.1 °C at 760 mmHg
Vapour Pressure of 2-Methyl-4'-(methylthio)-2-morpholinopropiophenone (CAS NO.71868-10-5) 2.89E-07 mmHg at 25 °C
Product Categories of 2-Methyl-4'-(methylthio)-2-morpholinopropiophenone (CAS NO.71868-10-5) Acetophenone; Organic Photoinitiators; Polymerization Initiators
Canonical SMILES: CC(C)(C(=O)C1=CC=C(C=C1)SC)N2CCOCC2
InChI: InChI=1S/C15H21NO2S/c1-15(2,16-8-10-18-11-9-16)14(17)12-4-6-13(19-3)7-5-12/h4-7H,8-11H2,1-3H3
InChIKey: LWRBVKNFOYUCNP-UHFFFAOYSA-N
The Risk Statements information of 2-Methyl-4'-(methylthio)-2-morpholinopropiophenone (CAS NO.71868-10-5):
22: Harmful if swallowed
51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment
The Safety Statements information of 2-Methyl-4'-(methylthio)-2-morpholinopropiophenone (CAS NO.71868-10-5):
22: Do not breathe dust
61: Avoid release to the environment. Refer to special instructions safety data sheet
Hazard Codes: Xn, N
RIDADR: UN 3077 9/PG 3
WGK Germany: 2
2-Methyl-4'-(methylthio)-2-morpholinopropiophenone , its cas register number is 71868-10-5. It also can be called 1-Propanone, 2-methyl-1-(4-(methylthio)phenyl)-2-(4-morpholinyl)- .