• Name

  2-Isopropylthioxanthone

• EINECS 226-827-9
• CAS No. 5495-84-1
• Article Data14
• CAS DataBase
• Density 1.199 g/cm³
• Solubility 340μg/L at 20℃
• Melting Point 76 °C
• Formula C₁₆H₁₄OS
• Boiling Point 398.9 °C at 760 mmHg
• Molecular Weight 254.353
• Flash Point 217 °C
• Transport Information
• Appearance Slightly yellow crystalline powder
• Safety 22
• Risk Codes 22
• Molecular Structure
• Hazard Symbols Xn
• Synonyms Thioxanthen-9-one,2-isopropyl- (7CI,8CI);2-ITX;2-Isopropyl-9H-thioxanthen-2-one;2-Isopropylthioxanthen-9-one;ITX;Photocure ITX-P;Quantacure 597;Quantacure 659;Quantacure ITX;Speedcure ITX;
• PSA 45.31000
• LogP 4.53810

Synthetic route

98-82-8

Isopropylbenzene

119-80-2

2,2'-dithiobenzoic acid

5495-84-1

2-isopropyl-9H-thioxanthen-9-one

Conditions

Conditions	Yield
With sulfuric acid at 20℃; for 0.5h;	99%
With methanesulfonic acid; zinc In chlorobenzene at 115℃;	89.5%

2-isopropyl thioxanthene

5495-84-1

2-isopropyl-9H-thioxanthen-9-one

Conditions

Conditions	Yield
With tert.-butylnitrite; oxygen; acetic acid; 2,3-dicyano-5,6-dichloro-p-benzoquinone In 1,2-dichloro-ethane at 20℃; for 12h; Irradiation;	98%
With tert.-butylnitrite; oxygen; acetic acid; 2,3-dicyano-5,6-dichloro-p-benzoquinone In 1,2-dichloro-ethane at 20℃; for 12h; Sealed tube; Irradiation;	98%
With potassium hexafluorophosphate; iron(III) nitrate monohydrate; oxygen In acetonitrile at 80℃; for 2h; Reagent/catalyst; Temperature; Concentration;	96%
In 1,2-dichloro-ethane at 20℃; for 2h; UV-irradiation;	75%
With air In 1,2-dichloro-ethane at 20℃; for 2h; UV-irradiation;	75%

5495-75-0

2-(4-isopropylphenylthio)benzoic acid

5495-84-1

2-isopropyl-9H-thioxanthen-9-one

Conditions

Conditions	Yield
With sulfuric acid In cyclohexane Solvent; Temperature; Reflux;	91%

98-82-8

Isopropylbenzene

3950-02-5

2-chlorosulfenylbenzoyl chloride

A

4-isopropylthioxanthone

B

5495-84-1

2-isopropyl-9H-thioxanthen-9-one

Conditions

Conditions	Yield
iron(III) chloride In 1,2-dichloro-ethane at 20℃; for 0.5h; Product distribution / selectivity; Friedel Crafts Acylation;	A 9.8% B 88.2%
aluminum (III) chloride In 1,2-dichloro-ethane at -10 - 25℃; for 1 - 1.25h; Product distribution / selectivity; Friedel Crafts Acylation;	A 11.2% B 76%

...Expand

98-82-8

Isopropylbenzene

119-80-2

2,2'-dithiobenzoic acid

98-07-7

Benzotrichlorid

A

4-isopropylthioxanthone

B

5495-84-1

2-isopropyl-9H-thioxanthen-9-one

C

3-isopropylthioxanthone

Conditions

Conditions	Yield
Stage #1: 2,2'-dithiobenzoic acid; Benzotrichlorid With iron(III) chloride In chlorobenzene at 100℃; for 1h; Inert atmosphere; Stage #2: Isopropylbenzene With aluminum (III) chloride In trans-1,2-dichloroethylene at 20℃; for 1h; Inert atmosphere; Overall yield = 32.8 g;

...Expand

2-chloro-2'-ethoxy-5'-isopropylbenzophenone

5495-84-1

2-isopropyl-9H-thioxanthen-9-one

Conditions

Conditions	Yield
With copper; sodium carbonate; sulfur In 1,2-dichloro-ethane Solvent; Reagent/catalyst; Reflux;	20.8 g

2-chloro-2'-methoxy-5'-isopropylbenzophenone

5495-84-1

2-isopropyl-9H-thioxanthen-9-one

Conditions

Conditions	Yield
With copper; sulfur; sodium hydroxide In 1,2-dichloro-ethane Solvent; Reagent/catalyst; Reflux;	20 g

5495-84-1

2-isopropyl-9H-thioxanthen-9-one

210295-96-8

2-isopropyl-9H-thioxanthen-9-one 10,10-dioxide

Conditions

Conditions	Yield
With Oxone In methanol; water Heating / reflux;	82%

5495-84-1

2-isopropyl-9H-thioxanthen-9-one

482662-60-2

2-isopropylthioxanthone sulphoxide

Conditions

Conditions	Yield
With cerium(IV)diammonium nitrate In water; acetonitrile at 20℃; for 2.5h;	52.3%
With ammonium cerium(IV) nitrate In water; acetonitrile at 20℃; for 2.5h;	52.3%
With dihydrogen peroxide; trifluoroacetic acid In water at 0 - 23℃; for 12.25h;

5495-84-1

2-isopropyl-9H-thioxanthen-9-one

C29H26OS

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: sodium tetrahydroborate; methanol 2.1: perchloric acid / toluene; water 3.1: n-butyllithium / tetrahydrofuran; hexane / 0.5 h / -84 °C / Sealed tube; Inert atmosphere 3.2: 1 h / 20 °C View Scheme

5495-84-1

2-isopropyl-9H-thioxanthen-9-one

C30H28OS

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: sodium tetrahydroborate; methanol 2: perchloric acid / toluene; water 3: 0.5 h / 20 °C View Scheme

5495-84-1

2-isopropyl-9H-thioxanthen-9-one

C24H24OS

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: sodium tetrahydroborate; methanol 2.1: thionyl chloride / Inert atmosphere; Cooling with ice 2.2: Inert atmosphere 3.1: n-butyllithium / tetrahydrofuran; hexane / 0.5 h / -84 °C / Inert atmosphere 3.2: 1 h / 120 °C View Scheme

5495-84-1

2-isopropyl-9H-thioxanthen-9-one

C25H26OS

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: sodium tetrahydroborate; methanol 2.1: thionyl chloride / Inert atmosphere; Cooling with ice 2.2: Inert atmosphere 3.1: 2 h / 20 °C View Scheme

5495-84-1

2-isopropyl-9H-thioxanthen-9-one

C16H16OS

Conditions

Conditions	Yield
With methanol; sodium tetrahydroborate

5495-84-1

2-isopropyl-9H-thioxanthen-9-one

9-(phenylthio)-2-isopropyl-9H-thioxanthene

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: sodium tetrahydroborate; methanol 2: perchloric acid / toluene; water View Scheme

5495-84-1

2-isopropyl-9H-thioxanthen-9-one

9-(methylthio)-2-isopropyl-9H-thioxanthene

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: sodium tetrahydroborate; methanol 2.1: thionyl chloride / Inert atmosphere; Cooling with ice 2.2: Inert atmosphere View Scheme

5495-84-1

2-isopropyl-9H-thioxanthen-9-one

C27H27O6S(1+)*CF3O3S(1-)

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: trifluoroacetic acid; dihydrogen peroxide / water / 12.25 h / 0 - 23 °C 2.1: chloroform / 0.5 h / 23 °C 2.2: 2.25 h / 5 - 23 °C View Scheme

5495-84-1

2-isopropyl-9H-thioxanthen-9-one

C26H24O6S

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: trifluoroacetic acid; dihydrogen peroxide / water / 12.25 h / 0 - 23 °C 2.1: chloroform / 0.5 h / 23 °C 2.2: 2.25 h / 5 - 23 °C 3.1: sodium hydroxide; water / chloroform / 1.5 h / 23 °C View Scheme

5495-84-1

2-isopropyl-9H-thioxanthen-9-one

C25H22O6S

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: trifluoroacetic acid; dihydrogen peroxide / water / 12.25 h / 0 - 23 °C 2.1: chloroform / 0.5 h / 23 °C 2.2: 2.25 h / 5 - 23 °C 3.1: sodium hydroxide; water / chloroform / 1.5 h / 23 °C View Scheme

5495-84-1

2-isopropyl-9H-thioxanthen-9-one

C26H25O6S(1+)*CF3O3S(1-)

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: trifluoroacetic acid; dihydrogen peroxide / water / 12.25 h / 0 - 23 °C 2.1: chloroform / 0.5 h / 23 °C 2.2: 2.25 h / 5 - 23 °C View Scheme

5495-84-1

2-isopropyl-9H-thioxanthen-9-one

C25H22O4S

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: trifluoroacetic acid; dihydrogen peroxide / water / 12.25 h / 0 - 23 °C 2.1: trifluorormethanesulfonic acid / chloroform / 0.5 h / 23 °C 2.2: 6.25 h / 5 - 23 °C View Scheme

2-Isopropylthioxanthone Chemical Properties

2-Isopropylthioxanthone Uses

2-Isopropylthioxanthone Safety Profile

2-Isopropylthioxanthone Specification