CAS No.53885-35-1,Ticlopidine hydrochloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	53885-35-1
Name:	Ticlopidine hydrochloride
Article Data:	14

Formula:	C₁₄H₁₄ClNS^.HCl
Molecular Weight:	300.252
Synonyms:	Ticlopidine;Ticlopidine hydrochloride;
EINECS:	258-837-4
Density:	1.37 g/cm3
Melting Point:	205°C
Boiling Point:	367.3 °C at 760 mmHg
Flash Point:	175.9 °C
Solubility:	Soluble in ethanol; almost soluble in water
Appearance:	White powder
Hazard Symbols:	Xn
Risk Codes:	22
Safety:	36
PSA:	31.48000
LogP:	4.69970

Synthetic route

: 60612-23-9
N-(2-chloro-benzyl)-2-(thien-2-yl)-ethylamine hydrochloride

: 53885-35-1
ticlopidine hydrochloride

Conditions

Conditions	Yield
In 1,3-DIOXOLANE; ethyl acetate	95%
With hydrogenchloride In 1,3-dioxane; water at 90℃; for 6h; Temperature;	82%

: 646-06-0
1,3-DIOXOLANE

: 60612-23-9
N-(2-chloro-benzyl)-2-(thien-2-yl)-ethylamine hydrochloride

: 53885-35-1
ticlopidine hydrochloride

Conditions

Conditions	Yield
With hydrogenchloride	89%
With hydrogenchloride In water at 90℃; for 6h; Temperature;	82%
With hydrogenchloride In water at 90℃; for 6h; Temperature;	91 g

: 54903-50-3
4,5,6,7-tetrahydrothieno[3,2-c]pyridine

: 611-19-8
1-chloro-2-(chloromethyl)benzene

: 53885-35-1
ticlopidine hydrochloride

Conditions

Conditions	Yield
Stage #1: 4,5,6,7-tetrahydrothieno[3,2-c]pyridine; 1-chloro-2-(chloromethyl)benzene In dichloromethane at 60℃; for 1h; Stage #2: With hydrogenchloride In dichloromethane Reagent/catalyst; Solvent; Temperature;	87%

: 30433-91-1
[2-(2-thyenyl)ethyl]amine

aqueous potassium carbonate: aqueous potassium carbonate

: 2053-29-4
methyleneamine

: 611-19-8
1-chloro-2-(chloromethyl)benzene

: 53885-35-1
ticlopidine hydrochloride

Conditions

Conditions	Yield
With hydrogenchloride; formaldehyd; potassium carbonate In tetrahydrofuran; methanol; water; toluene	84%

...Expand

: 54903-50-3
4,5,6,7-tetrahydrothieno[3,2-c]pyridine

: 108-20-3
di-isopropyl ether

: 611-19-8
1-chloro-2-(chloromethyl)benzene

: 53885-35-1
ticlopidine hydrochloride

Conditions

Conditions	Yield
With hydrogenchloride; sodium hydrogencarbonate In ethanol	83%

...Expand

: C13H14ClNS*(x)ClH

: 53885-35-1
ticlopidine hydrochloride

Conditions

Conditions	Yield
With hydrogenchloride In 1,3-dioxane; water at 90℃; for 6h; Temperature;	82%

: 7440-44-0
pyrographite

: 60612-23-9
N-(2-chloro-benzyl)-2-(thien-2-yl)-ethylamine hydrochloride

: 53885-35-1
ticlopidine hydrochloride

Conditions

Conditions	Yield
Stage #1: N-(2-chloro-benzyl)-2-(thien-2-yl)-ethylamine hydrochloride With hydrogenchloride In 1,3-dioxane; water at 7 - 90℃; for 9h; Stage #2: pyrographite In ethanol at 4℃; for 4h; Temperature;	82%

: 18997-19-8
Chloromethyl pivalate

: 69061-17-2
N-(2-chloro-benzyl)-2-(thien-2-yl)-ethylamine

: 53885-35-1
ticlopidine hydrochloride

Conditions

Conditions	Yield
In dimethyl sulfoxide	51%

: 505-23-7
1,3 dithiane

: 60612-23-9
N-(2-chloro-benzyl)-2-(thien-2-yl)-ethylamine hydrochloride

: 53885-35-1
ticlopidine hydrochloride

Conditions

Conditions	Yield
In 1,2-dimethoxyethane	9.4 g (62.7%)

: 69061-17-2
N-(2-chloro-benzyl)-2-(thien-2-yl)-ethylamine

: 53885-35-1
ticlopidine hydrochloride

Conditions

Conditions	Yield
With sodium hydroxide; methanesulfonic acid; paraformaldehyde In N-methyl-acetamide; dichloromethane

Raw Materials

611-19-8

30433-91-1

108-20-3

69061-17-2

54903-50-3

107-30-2

89-98-5

505-23-7

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Specification

The Ticlopidine hydrochloride, with the CAS registry number 53885-35-1 and EINECS registry number 258-837-4, has the systematic name of 5-(2-chlorobenzyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine hydrochloride (1:1). It is a kind of white solid, and belongs to the following product categories: Active Pharmaceutical Ingredients; Heterocyclic Compounds; Bases & Related Reagents; Heterocycles; Intermediates & Fine Chemicals; Nucleotides; Pharmaceuticals; Sulfur & Selenium Compounds; API's; Purinergics P2 receptor. And the molecular formula of this chemical is C₁₄H₁₄ClNS^.HCl. What's more, it is often used as antiplatelet drug.

Physical properties about Ticlopidine hydrochloride are: (1)ACD/LogP: 3.231; (2)ACD/LogD (pH 5.5): 1.64; (3)ACD/LogD (pH 7.4): 3.06; (4)ACD/BCF (pH 5.5): 4.28; (5)ACD/BCF (pH 7.4): 112.21; (6)ACD/KOC (pH 5.5): 34.69 ; (7)ACD/KOC (pH 7.4): 910.40; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.638; (11)Molar Refractivity: 74.44 cm³; (12)Molar Volume: 207.057 cm³; (13)Polarizability: 29.51 10-24cm³; (14)Surface Tension: 51.5359992980957 dyne/cm; (15)Density: 1.274 g/cm³; (16)Flash Point: 175.918 °C; (17)Enthalpy of Vaporization: 61.378 kJ/mol; (18)Boiling Point: 367.268 °C at 760 mmHg

Preparation of Ticlopidine hydrochloride: Add 4,5,6,7-tetrahydro thieno [3,2-c] pyridine 13.9g(0.1mol), 2-chlorobenzyl chloride 16.1g (0.1mol), triethylamine 15g(0.15mol) and acetonitrile 150ml to the reaction bulb at room temperature with stirring, recycle the acetonitrile by vacuum concentration. Add 100ml toluene and 100ml water, and the solution should be fully mixed, then the solution will separate if left to stand. Get the toluene layer, and dry it with MgSO₄. After filtering, control the PH to 2 by adding chlorine hydride isopropyl alcohol solution, and keep stirring for 2 minutes, cool it down, and separate out solid. Filter again, and gives pale yellow sokid. Recrystallize with absolute ethyl alcohol, you can get the white solid, and that's your aim product. The yield is about 75%.

Ticlopidine hydrochloride can be prepared by 4,5,6,7-tetrahydro thieno [3,2-c] pyridine, 2-chlorobenzyl chloride, triethylamine and acetonitrile

You should be cautious while dealing with this chemical. It is harmful if swallowed. Therefore, you had better take the wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Clc1ccccc1CN3Cc2c(scc2)CC3
(2)InChI: InChI=1/C14H14ClNS.ClH/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14;/h1-4,6,8H,5,7,9-10H2;1H
(3)InChIKey: MTKNGOHFNXIVOS-UHFFFAOYAY

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
monkey	LD50	intraperitoneal	500mg/kg (500mg/kg)		New Drugs Annual: Cardiovascular Drugs. Vol. 1, Pg. 295, 1983.
mouse	LD50	intravenous	55mg/kg (55mg/kg)		United States Patent Document. Vol. #4051141,
mouse	LD50	oral	600mg/kg (600mg/kg)		Medical Pharmacy. Vol. 15, Pg. 272, 1981.
mouse	LD50	subcutaneous	2690mg/kg (2690mg/kg)		Medical Pharmacy. Vol. 15, Pg. 272, 1981.
rat	LD50	intravenous	70mg/kg (70mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 12, Pg. 1204, 1981.
rat	LD50	oral	1780mg/kg (1780mg/kg)		Medical Pharmacy. Vol. 15, Pg. 272, 1981.
rat	LD50	subcutaneous	> 3gm/kg (3000mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	Yakkyoku. Pharmacy. Vol. 32, Pg. 1499, 1981.
women	LDLo	unreported	180mg/kg/18D- (180mg/kg)	BLOOD: APLASTIC ANEMIA LIVER: LIVER FUNCTION TESTS IMPAIRED SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"	American Journal of Hematology. Vol. 59, Pg. 260, 1998.
women	TDLo	oral	49mg/kg/1W-I (49mg/kg)	LIVER: LIVER FUNCTION TESTS IMPAIRED LIVER: "JAUNDICE, CHOLESTATIC"	American Journal of Hospital Pharmacy. Vol. 51, Pg. 1821, 1994.
women	TDLo	oral	189mg/kg/17D- (189mg/kg)	LIVER: "JAUNDICE, CHOLESTATIC" LIVER: LIVER FUNCTION TESTS IMPAIRED	American Journal of Hospital Pharmacy. Vol. 51, Pg. 1821, 1994.
women	TDLo	oral	1896mg/kg/26W (1896mg/kg)	GASTROINTESTINAL: NAUSEA OR VOMITING LIVER: "JAUNDICE, CHOLESTATIC"	Clinical Pharmacy. Vol. 12, Pg. 398, 1993.