2-Methyl-4'-(methylthio)-2-morpholinopropiophenone supplier

Name
2-Methyl-4'-(methylthio)-2-morpholinopropiophenone
EINECS 400-600-6
CAS No. 71868-10-5
Article Data12
CAS DataBase
Density 1.15 g/cm³
Solubility 17.9mg/L at 20℃
Melting Point 74-76 °C
Formula C₁₅H₂₁NO₂S
Boiling Point 420.1 °C at 760 mmHg
Molecular Weight 279.403
Flash Point 207.9 °C
Transport Information UN 3077 9/PG 3
Appearance White to yellow powder
Safety 22-61
Risk Codes 22-51/53
Molecular Structure
Hazard Symbols Xn,N
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;
PSA 54.84000
LogP 2.63990

Synthetic route

: 110-91-8
morpholine

: 2-methoxy-3,3-dimethyl-2-(4-methylthiophenyl)oxirane

: 71868-10-5
2-methyl-1-[4-(methylthio)phenyl]-2-morpholinopropan-1-one

Conditions

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;

: 1879-16-9
1-methoxy-4-methylsulfanyl-benzene

: 4-(2-methyl-2-morpholinopropanoyl)benzonitrile

: 71868-10-5
2-methyl-1-[4-(methylthio)phenyl]-2-morpholinopropan-1-one

Conditions

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%

: 110-91-8
morpholine

: 53207-58-2
2-methyl-1-(4-(methylthio)phenyl)-propan-1-one

: 71868-10-5
2-methyl-1-[4-(methylthio)phenyl]-2-morpholinopropan-1-one

Conditions

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%

: 110-91-8
morpholine

: 88324-55-4
2-bromo-2-methyl-1-[4-(methylsulfanyl)phenyl]propan-1-one

: 71868-10-5
2-methyl-1-[4-(methylthio)phenyl]-2-morpholinopropan-1-one

Conditions

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%

: 53207-58-2
2-methyl-1-(4-(methylthio)phenyl)-propan-1-one

: 71868-10-5
2-methyl-1-[4-(methylthio)phenyl]-2-morpholinopropan-1-one

Conditions

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

: 100-68-5
methyl-phenyl-thioether

: 71868-10-5
2-methyl-1-[4-(methylthio)phenyl]-2-morpholinopropan-1-one

Conditions

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-chloro-2-methyl-1-(4-methylthiophenyl)-1-propanone

: 71868-10-5
2-methyl-1-[4-(methylthio)phenyl]-2-morpholinopropan-1-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: methanol / 1 h / 20 °C 2: 20 h / 105 - 115 °C View Scheme

: 88324-55-4
2-bromo-2-methyl-1-[4-(methylsulfanyl)phenyl]propan-1-one

: 71868-10-5
2-methyl-1-[4-(methylthio)phenyl]-2-morpholinopropan-1-one

Conditions

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

: 623-26-7
terephthalonitrile

: 71868-10-5
2-methyl-1-[4-(methylthio)phenyl]-2-morpholinopropan-1-one

: 4-(2-methyl-2-morpholinopropanoyl)benzonitrile

Conditions

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%

: 71868-10-5
2-methyl-1-[4-(methylthio)phenyl]-2-morpholinopropan-1-one

: 1569-69-3
Cyclohexanethiol

: 1-(4-(cyclohexylthio)phenyl)-2-methyl-2-morpholinopropan-1-one

Conditions

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%

: 71868-10-5
2-methyl-1-[4-(methylthio)phenyl]-2-morpholinopropan-1-one

: 96-32-2
bromoacetic acid methyl ester

: 1353758-87-8
methyl 2-((4-(2-methyl-2-morpholinopropanoyl)phenyl)thio)acetate

Conditions

Conditions	Yield
In 2,2,2-trifluoroethanol at 100℃; for 24h;	89%

: 71868-10-5
2-methyl-1-[4-(methylthio)phenyl]-2-morpholinopropan-1-one

: 62-53-3
aniline

: C20H24N2O2

Conditions

Conditions	Yield
With bis(1,5-cyclooctadiene)nickel (0); lithium hexamethyldisilazane; 1,2-bis-(dicyclohexylphosphino)ethane In toluene at 100℃; for 12h; Buchwald-Hartwig Coupling;	68%

: 71868-10-5
2-methyl-1-[4-(methylthio)phenyl]-2-morpholinopropan-1-one

A: 141888-27-9
2-morpholino propan-2-yl radical

B: 141913-26-0
C8H7OS

Conditions

Conditions	Yield
In various solvent(s) at -40.1℃; Irradiation; Title compound not separated from byproducts;
In acetonitrile UV-irradiation;

: 71868-10-5
2-methyl-1-[4-(methylthio)phenyl]-2-morpholinopropan-1-one

: 15700-62-6
dicyclohexyl itaconate

poly(dicyclohexyl itaconate) dimethyl(morpholino)methyl-terminated; monomer(s): dicyclohexyl itaconate; 2-methyl-1-[4-(methylthio)phenyl]-2-morpholinopropan-1-one: poly(dicyclohexyl itaconate) dimethyl(morpholino)methyl-terminated; monomer(s): dicyclohexyl itaconate; 2-methyl-1-[4-(methylthio)phenyl]-2-morpholinopropan-1-one

Conditions

Conditions	Yield
at 20℃; pulsed lazer irradiation;

: 71868-10-5
2-methyl-1-[4-(methylthio)phenyl]-2-morpholinopropan-1-one

: 292638-85-8
acrylic acid methyl ester

poly(methyl acrylate), p-methylthiobenzoyl- and dimethyl(morpholino)methyl-terminated; monomer(s): methyl acrylate; 2-methyl-1-[4-(methylthio)phenyl]-2-morpholinopropan-1-one: poly(methyl acrylate), p-methylthiobenzoyl- and dimethyl(morpholino)methyl-terminated; monomer(s): methyl acrylate; 2-methyl-1-[4-(methylthio)phenyl]-2-morpholinopropan-1-one

Conditions

Conditions	Yield
at -34℃; pulsed lazer irradiation;

: 71868-10-5
2-methyl-1-[4-(methylthio)phenyl]-2-morpholinopropan-1-one

poly(ethylene glycol) diacrylate: poly(ethylene glycol) diacrylate

poly(ethylene glycol) diacrylate with C(O)-C6H4-SCH3-p end group, product of photopolymerization: poly(ethylene glycol) diacrylate with C(O)-C6H4-SCH3-p end group, product of photopolymerization

Conditions

Conditions	Yield
at 70℃; UV-irradiation;

: 71868-10-5
2-methyl-1-[4-(methylthio)phenyl]-2-morpholinopropan-1-one

: 77-78-1
dimethyl sulfate

: dimethyl-[4-(2-methyl-2-morpholin-4-ium-4-yl-propanoyl)phenyl]sulfonium methyl sulfate

Conditions

Conditions	Yield
In water; acetonitrile at 25 - 60℃;

: 71868-10-5
2-methyl-1-[4-(methylthio)phenyl]-2-morpholinopropan-1-one

: 2-methyl-1-[4-(methylsulfinyl)-phenyl]-2-morpholinopropan-1-one

Conditions

Conditions	Yield
Stage #1: 2-methyl-1-[4-(methylthio)phenyl]-2-morpholinopropan-1-one With 3-chloro-benzenecarboperoxoic acid In dichloromethane for 2.5h; Cooling with ice; Stage #2: With sodium hydroxide In dichloromethane; water

: 71868-10-5
2-methyl-1-[4-(methylthio)phenyl]-2-morpholinopropan-1-one

: 2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ium-4-yl-propan-1-one tetrafluoroborate

Conditions

Conditions	Yield
With tetrafluoroboric acid In diethyl ether for 2h; Cooling with ice;

: 71868-10-5
2-methyl-1-[4-(methylthio)phenyl]-2-morpholinopropan-1-one

: 1353758-57-2
dimethyl-[4-(2-methyl-2-morpholino-propanoyl)phenyl]sulfonium methyl sulfate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: acetonitrile; water / 25 - 60 °C 2: sodium hydroxide; sodium carbonate / water / 0.5 h / 25 °C / pH 9 View Scheme

: 71868-10-5
2-methyl-1-[4-(methylthio)phenyl]-2-morpholinopropan-1-one

: dimethyl-[4-(2-methyl-2-morpholino-propanoyl)phenyl]sulfonium hexafluorophosphate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: acetonitrile; water / 25 - 60 °C 2: sodium hexaflorophosphate; sodium carbonate / water / pH 9.2 View Scheme

: 71868-10-5
2-methyl-1-[4-(methylthio)phenyl]-2-morpholinopropan-1-one

: 1353758-31-2
2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ium-4-yl-propan-1-one chloride

Conditions

Conditions	Yield
With hydrogenchloride In propan-1-ol; water for 1h;

: 71868-10-5
2-methyl-1-[4-(methylthio)phenyl]-2-morpholinopropan-1-one

: 368-39-8
triethyloxonium fluoroborate

: ethyl-methyl-[4-(2-methyl-2-morpholino-propanoyl)phenyl]sulfonium tetrafluoroborate

Conditions

Conditions	Yield
In dichloromethane at 25℃; for 5h;	90 %Spectr.

: 71868-10-5
2-methyl-1-[4-(methylthio)phenyl]-2-morpholinopropan-1-one

A: 2-methyl-2-(4-morpholinyl)-1-[4-(dichloromethylthio)phenyl]-1-propanone hydrochloride

B: 2-methyl-2-(4-morpholinyl)-1-[4-(trichloromethylthio)phenyl]-1-propanone hydrochloride

Conditions

Conditions	Yield
With sulfuryl dichloride In 1,2-dichloro-ethane at 20 - 30℃; for 4h; Reagent/catalyst; Temperature; Overall yield = 16.5 g;

: 71868-10-5
2-methyl-1-[4-(methylthio)phenyl]-2-morpholinopropan-1-one

: 2-methyl-2-(4-morpholinyl)-1-(4-mercaptophenyl)-1-propanone

Conditions

Conditions	Yield
Stage #1: 2-methyl-1-[4-(methylthio)phenyl]-2-morpholinopropan-1-one With sulfuryl dichloride In 1,2-dichloro-ethane for 1h; Stage #2: With carbonic acid dimethyl ester; sodium hydroxide In methanol for 6.25h; Inert atmosphere; Reflux;	8.5 g

: 71868-10-5
2-methyl-1-[4-(methylthio)phenyl]-2-morpholinopropan-1-one

: 532-27-4
1-chloroacetophenone

: C23H28NO3S(1+)*Cl(1-)

Conditions

Conditions	Yield
In acetone for 2h; Inert atmosphere;

: 71868-10-5
2-methyl-1-[4-(methylthio)phenyl]-2-morpholinopropan-1-one

: 532-27-4
1-chloroacetophenone

: C23H28NO3S(1+)*F6P(1-)

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: acetone / 2 h / Inert atmosphere 2: potassium hexafluorophosphate / acetone / 2 h / Heating View Scheme

2-Methyl-4'-(methylthio)-2-morpholinopropiophenone Chemical Properties

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

2-Methyl-4'-(methylthio)-2-morpholinopropiophenone Safety Profile

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 Specification

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)- .

Product Name

2-Methyl-4'-(methylthio)-2-morpholinopropiophenone

Synthetic route

2-Methyl-4'-(methylthio)-2-morpholinopropiophenone Chemical Properties

2-Methyl-4'-(methylthio)-2-morpholinopropiophenone Safety Profile

2-Methyl-4'-(methylthio)-2-morpholinopropiophenone Specification

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