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Chlorprothixene
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Name

Chlorprothixene

 EINECS 204-032-8
CAS No. 113-59-7 Density 1.255 g/cm3
PSA 28.54000 LogP 5.18800
Solubility 385.8ug/L(22.5 oC) Melting Point 97-98°
Formula C18H18ClNS Boiling Point 435 °C at 760 mmHg
Molecular Weight 315.867 Flash Point 216.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 113-59-7 (Chlorprothixene) Hazard Symbols N/A
Synonyms

1-Propanamine,3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dimethyl-, (Z)-;Thioxanthene-D9,g-propylamine, 2-chloro-N,N-dimethyl-, (Z)-(6CI,7CI,8CI);CPT;CPX;Chlorprothixene;Chlorprotixen;Chlorprotixene;Chlothixen;Iaractan;MK 184;Paxyl;Ro 4-0403;Tactaran;Taractan;Tarasan;Traquilan;Trictal;Truxil;Vetacalm;cis-Chlorprothixene;(3Z)-3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine;(Z)-2-Chloro-9-(3'-dimethylaminopropylidene)thioxanthene;(Z)-2-Chloro-N,N-dimethylthioxanthene-D9,g-propylamine;1-Propanamine, 3- (2-chloro-9H-thioxanthen-9-ylidene)-N,N-dimethyl-, (Z)-;1-propanamine, 3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dimethyl-, (3Z)-;Chlorprothixene;Tarasan;Taractan;

 

Chlorprothixene Synthetic route

Chlorprothixene hydrochloride

113-59-7

chlorprothixene

Conditions
ConditionsYield
With sodium hydroxide In water
10273-89-9

2-(2-methylphenyl)pyridine

113-59-7

chlorprothixene

C30H28N2S

Conditions
ConditionsYield
With C17H24N5Ru(1+)*F6P(1-); potassium acetate; potassium carbonate In 1-methyl-pyrrolidin-2-one at 35℃; for 48h; Inert atmosphere;90%
65864-64-4

trimethyl(difluoromethyl)silane

113-59-7

chlorprothixene

(Z)-3-(2-(difluoromethyl)-9H-thioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine

Conditions
ConditionsYield
With dicyclohexyl-(2′,4′,6′-triisopropyl-3,6-dimethoxy-[1,1′-biphenyl]-2-yl)phosphine; cesium fluoride; bis(dibenzylideneacetone)-palladium(0) In 1,4-dioxane at 100℃; for 16h; Reagent/catalyst; Glovebox; Sealed tube;38%
113-59-7

chlorprothixene

4546-35-4

chlorprothixene

Conditions
ConditionsYield
With water In acetonitrile Quantum yield; Mechanism; Reagent/catalyst; Photolysis; Inert atmosphere;

Chlorprothixene Specification

The Tarasan, with the CAS registry number 113-59-7 and EINECS registry number 204-032-8, has the systematic name of (3Z)-3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine. It is a kind of pale yellow crystalline powder, and insoluble in ethanol, ether or chloroform. The molecular formula of this chemical is C18H18ClNS.

The physical properties of Tarasan are as following: (1)ACD/LogP: 6.05; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.08; (4)ACD/LogD (pH 7.4): 4.41; (5)ACD/BCF (pH 5.5): 25.08; (6)ACD/BCF (pH 7.4): 529.41; (7)ACD/KOC (pH 5.5): 50.09; (8)ACD/KOC (pH 7.4): 1057.23; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 28.54 Å2; (13)Index of Refraction: 1.682; (14)Molar Refractivity: 95.35 cm3; (15)Molar Volume: 251.4 cm3; (16)Polarizability: 37.8×10-24cm3; (17)Surface Tension: 54.8 dyne/cm; (18)Density: 1.255 g/cm3; (19)Flash Point: 216.9 °C; (20)Enthalpy of Vaporization: 69.12 kJ/mol; (21)Boiling Point: 435 °C at 760 mmHg; (22)Vapour Pressure: 9.06E-08 mmHg at 25°C.

Preparation of Tarasan: It can start from 2-chlorothixantone. 2-Chlorothioxantone is reacted as a carbonyl component with either 3-dimethylaminopropylmagnesiumbromide, or with allylmagnesiumbromide, giving the corresponding tertiary alcohol. Dehydration is accomplished by acylation of the tertiary hydroxyl group using acetyl chloride and the subsequent pyrolysis of the formed acetate, which leads to the desired chlorprothixene which is also known as Tarasan.

Uses of Tarasan: It is a typical antipsychotic drug of the thioxanthene class. It is used in the teatment of psychotic disorders and of acute mania occurring as part of bipolar disorders. It is also used for the pre- and postoperative states with anxiety and insomnia, severe nausea/emesis.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc1C(\c3c(Sc1cc2)cccc3)=C/CCN(C)C
(2)InChI: InChI=1/C18H18ClNS/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18/h3-4,6-10,12H,5,11H2,1-2H3/b14-7-
(3)InChIKey: WSPOMRSOLSGNFJ-AUWJEWJLBL

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
man LDLo oral 7mg/kg (7mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: MUSCLE WEAKNESS		 Arzneimittel-Forschung. Drug Research. Vol. 14, Pg. 596, 1964.
mouse LD50 intraperitoneal 56200ug/kg (56.2mg/kg)   Cancer Research. Vol. 47, Pg. 5944, 1987.
mouse LD50 intravenous 36mg/kg (36mg/kg)   Drugs in Japan Vol. -, Pg. 373, 1990.
mouse LD50 oral 50100ug/kg (50.1mg/kg)   Cancer Research. Vol. 47, Pg. 5944, 1987.
rabbit LD50 oral 182mg/kg (182mg/kg)   "Handbook of Analytical Toxicology," Sunshine, I., ed., Cleveland, OH, Chemical Rubber Co., 1969Vol. -, Pg. 33, 1969.
rat LD50 oral 200mg/kg (200mg/kg)   Drugs in Japan Vol. 6, Pg. 252, 1982.

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