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142770-42-1

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Basic Information
CAS No.: 142770-42-1
Name: 9H-Thioxanthen-9-one,1-chloro-4-propoxy-
Article Data: 2
Cas Database
Molecular Structure:
Molecular Structure of 142770-42-1 (9H-Thioxanthen-9-one,1-chloro-4-propoxy-)
Formula: C16H13ClO2S
Molecular Weight: 304.797
Synonyms: 1-Chloro-4-propoxy-9H-thioxanthen-9-one;1-Chloro-4-propoxy-9H-thioxanthone;1-Chloro-4-propoxythioxanthone;KayacureCPTX;Quantacure CPTX;Speedcure CPTX;
EINECS: N/A
Density: 1.319 g/cm3
Melting Point: 99-103 °C(lit.)
Boiling Point: 467.402 °C at 760 mmHg
Flash Point: 236.477 °C
Solubility: N/A
Appearance: bright yellow even solid powder
Hazard Symbols: N/A
Risk Codes: N/A
Safety: 22-24/25
Transport Information: N/A
PSA: 54.54000
LogP: 4.85690
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Synthetic route
59803-22-4

1-chloro-4-hydroxy-9H-thioxanthen-9-one

106-94-5

propyl bromide

142770-42-1

1-chloro-4-propoxy-9H-thioxanthen-9-one

Conditions
ConditionsYield
With potassium carbonate at 80℃;95.4%
142770-42-1

1-chloro-4-propoxy-9H-thioxanthen-9-one

59803-22-4

1-chloro-4-hydroxy-9H-thioxanthen-9-one

Conditions
ConditionsYield
Stage #1: 1-chloro-4-propoxy-9H-thioxanthen-9-one With boron tribromide In dichloromethane at -70℃;
Stage #2: With methanol		88%
With boron tribromide Ullmann Condensation;
142770-42-1

1-chloro-4-propoxy-9H-thioxanthen-9-one

591773-95-4

4-propoxy-1-chloro-9H-thioxanthen-9-one 10-oxide

Conditions
ConditionsYield
With ammonium cerium(IV) nitrate In water; acetonitrile at 20 - 25℃; for 2h;87%
With ammonium cerium(IV) nitrate In water; acetonitrile at 50℃; for 1h;72.7%
With ammonium cerium(IV) nitrate In water; acetonitrile at 20℃; for 2h;
142770-42-1

1-chloro-4-propoxy-9H-thioxanthen-9-one

4-propoxy-1-chloro-9H-thioxanthen-9-one 10,10-dioxide

Conditions
ConditionsYield
With dihydrogen peroxide In water; acetic acid for 2h; Heating;56%
67-56-1

methanol

142770-42-1

1-chloro-4-propoxy-9H-thioxanthen-9-one

156-87-6

propan-1-ol-3-amine

A

1351934-50-3

1-methoxy-4-propoxy-9H-thioxanthen-9-one

B

1351934-52-5

1-[(3-hydroxypropyl)amino]-4-propoxy-9H-thioxanthen-9-one

Conditions
ConditionsYield
With copper(I) oxide at 100℃; for 48h; Ullmann cross-coupling;A n/a
B 30%
...Expand
2799-16-8

(2R)-hydroxypropylamine

142770-42-1

1-chloro-4-propoxy-9H-thioxanthen-9-one

(R)-1-((2-hydroxypropyl)amino)-4-propoxy-9H-thioxanthen-9-one

Conditions
ConditionsYield
With copper(l) iodide; potassium carbonate In methanol at 100℃; for 48h;23.62%
7533-40-6

(S)-2-amino-4-methylpentan-1-ol

142770-42-1

1-chloro-4-propoxy-9H-thioxanthen-9-one

(S)-1-((1-hydroxy-4-methylpentan-2-yl)amino)-4-propoxy-9H-thioxanthen-9-one

Conditions
ConditionsYield
With copper(l) iodide; potassium carbonate In methanol at 100℃; for 48h;19.59%
7533-40-6, 16369-17-8, 53448-09-2, 502-32-9

2-amino-4-methyl-1-pentanol

142770-42-1

1-chloro-4-propoxy-9H-thioxanthen-9-one

(R)-1-((1-hydroxy-4-methylpentan-2-yl)amino)-4-propoxy-9H-thioxanthen-9-one

Conditions
ConditionsYield
With copper(l) iodide; potassium carbonate In methanol at 100℃; for 48h;10.4%
4276-09-9

(R)-2-amino-3-methylbutanol

142770-42-1

1-chloro-4-propoxy-9H-thioxanthen-9-one

(R)-1-((1-hydroxy-3-methylbutan-2-yl)amino)-4-propoxy-9H-thioxanthen-9-one

Conditions
ConditionsYield
With copper(l) iodide; potassium carbonate In methanol at 100℃; for 48h;10.24%
2026-48-4

(S)-valinol

142770-42-1

1-chloro-4-propoxy-9H-thioxanthen-9-one

(S)-1-((1-hydroxy-3-methylbutan-2-yl)amino)-4-propoxy-9H-thioxanthen-9-one

Conditions
ConditionsYield
With copper(l) iodide; potassium carbonate In methanol at 100℃; for 48h;10.12%
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Chemistry

Following is the structure of 1-Chloro-4-propoxythioxanthone (CAS NO.142770-42-1):
                               
Empirical Formula: C16H13ClO2S
Molecular Weight: 304.7912 g/mol
Index of Refraction: 1.637
Molar Refractivity: 82.92 cm3
Molar Volume: 231 cm3
 Density: 1.319 g/cm3
Flash Point: 236.5 °C
Melting point: 99-103 °C(lit.)
Surface Tension: 51.1 dyne/cm
Enthalpy of Vaporization: 72.94 kJ/mol
Boiling Point: 467.4 °C at 760 mmHg
Vapour Pressure of 1-Chloro-4-propoxythioxanthone (CAS NO.142770-42-1): 6.53E-09 mmHg at 25 °C 
Product Categories of 1-Chloro-4-propoxythioxanthone (CAS NO.142770-42-1): Thioxanthones; Organic Photoinitiators; Polymerization Initiators
SMILES: O=C1c3ccccc3Sc2c1c(Cl)ccc2OCCC
InChI: InChI=1/C16H13ClO2S/c1-2-9-19-12-8-7-11(17)14-15(18)10-5-3-4-6-13(10)20-16(12)14/h3-8H,2,9H2,1H3 InChIKey: VKQJCUYEEABXNK-UHFFFAOYAG

Safety Profile

Safety Statements: 22-24/25 
S22:Do not breathe dust. 
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3

Specification

 1-Chloro-4-propoxythioxanthone , its cas register number is 142770-42-1. It also can be called 1-Chloro-4-propoxy-9H-thioxanthen-9-one ; and 1-Chloro-4-propoxythioxanthone . Its classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].