CAS No.71868-10-5,2-Methyl-4'-(methylthio)-2-morpholinopropiophenone Suppliers

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Basic Information

Molecular Structure:
CAS No.:	71868-10-5
Name:	2-Methyl-4'-(methylthio)-2-morpholinopropiophenone
Article Data:	12

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

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%

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Chemistry

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

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

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)- .