CAS No.91374-20-8,Ropinirole hydrochloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	91374-20-8
Name:	Ropinirole hydrochloride
Article Data:	21

Formula:	C₁₆H₂₄N₂O.ClH
Molecular Weight:	296.84
Synonyms:	2H-Indol-2-one,4-[2-(dipropylamino)ethyl]-1,3-dihydro-, monohydrochloride (9CI);Parkirop;Requip;Ropinirole hydrochloride;Ropitar;SKF 101468 hydrochloride;SKF101468A;4-(2-(Dipropylamino)ethyl)-2-indolinone monohydrochloride;1,3-Dihydro-4-(2-(dipropylamino)ethyl)-2H-indol-2-one monohydrochloride;Adartrel;
EINECS:	635-615-9
Melting Point:	241-243 °C
Boiling Point:	410.5 °C at 760 mmHg
Flash Point:	202 °C
Appearance:	off-white solid
Hazard Symbols:	Xn, N, Xi
Risk Codes:	22-50/53-36/38
Safety:	36-60-61-37/39-26
Transport Information:	UN 3077 9/PG 3
PSA:	32.34000
LogP:	3.78570

Synthetic route

: 802294-64-0
propionic acid

: N-Despropylropinirole

: 91374-20-8
ropinirole hydrochloride

Conditions

Conditions	Yield
Stage #1: propionic acid With sodium tetrahydroborate In toluene at 0 - 5℃; Stage #2: N-Despropylropinirole With sodium tetrahydroborate In toluene at 25 - 80℃; for 3h; Stage #3: With hydrogenchloride In water; isopropyl alcohol	98%

: 91374-25-3
<2-nitro-6-<2-(N,N-di-n-propylamino)ethyl>phenyl>acetic acid hydrochloride

: 91374-20-8
ropinirole hydrochloride

Conditions

Conditions	Yield
Stage #1: <2-nitro-6-<2-(N,N-di-n-propylamino)ethyl>phenyl>acetic acid hydrochloride With hydrogen; palladium 10% on activated carbon In water at 30 - 35℃; under 2942.29 Torr; for 8h; Stage #2: With sodium hydroxide In water pH=10 - 11; Stage #3: With hydrogenchloride In ethanol at 0 - 20℃; for 0.5 - 0.666667h; pH=2.0 - 3.0;	87.2%
Stage #1: <2-nitro-6-<2-(N,N-di-n-propylamino)ethyl>phenyl>acetic acid hydrochloride With hydrogen; palladium 10% on activated carbon In ethanol at 35 - 45℃; under 2206.72 - 4413.43 Torr; for 25h; Stage #2: With hydrogenchloride In ethanol at 15 - 25℃; for 0.5 - 0.666667h; pH=1.5 - 2.5;	66.8%
With hydrogen; palladium 10% on activated carbon In methanol
Stage #1: <2-nitro-6-<2-(N,N-di-n-propylamino)ethyl>phenyl>acetic acid hydrochloride With hydrogen; 5% Pd(II)/C(eggshell) In methanol at 25 - 35℃; under 2059.6 - 3236.52 Torr; Sealed tube; Stage #2: With hydrogenchloride In isopropyl alcohol; toluene at 0 - 35℃;

: 142-84-7
di-n-propylamine

: 139122-20-6
2-(2-oxo-2,3-dihydro-1H-indol-4-yl)ethyl-4-methylbenzene-1-sulfonate

: 91374-20-8
ropinirole hydrochloride

Conditions

Conditions	Yield
In water at 80℃; for 5h;	87%
With hydrogenchloride In water Large scale;	85%

: 91374-21-9
Ropinirole

: 91374-20-8
ropinirole hydrochloride

Conditions

Conditions	Yield
With hydrogenchloride In 1,4-dioxane; water	78%
With hydrogenchloride In water
With hydrogenchloride In isopropyl alcohol; toluene at 15 - 20℃; for 1h; Purification / work up;

: methyl 2-(2-((tert-butoxycarbonyl)amino)-6-(2-oxoethyl)phenyl)acetate

: 142-84-7
di-n-propylamine

: 91374-20-8
ropinirole hydrochloride

Conditions

Conditions	Yield
Stage #1: methyl 2-(2-((tert-butoxycarbonyl)amino)-6-(2-oxoethyl)phenyl)acetate; di-n-propylamine With acetic acid In dichloromethane for 0.166667h; Stage #2: With sodium cyanoborohydride In dichloromethane for 2h; Stage #3: With hydrogenchloride In dichloromethane; water for 16h;	73%

: 142-84-7
di-n-propylamine

: 120427-96-5
4-(2'-bromoethyl)-1,3-dihydro-2H-indol-2-one

A: 91374-20-8
ropinirole hydrochloride

B: 4-ethylenyl-1,3-dihydro-2H-indol-2-one

Conditions

Conditions	Yield
With hydrogenchloride In water Large scale;	A 57% B 38%

...Expand

: 142-84-7
di-n-propylamine

: 120427-96-5
4-(2'-bromoethyl)-1,3-dihydro-2H-indol-2-one

: 91374-20-8
ropinirole hydrochloride

Conditions

Conditions	Yield
Stage #1: di-n-propylamine; 4-(2'-bromoethyl)-1,3-dihydro-2H-indol-2-one In water; acetonitrile at 65 - 70℃; for 1.25h; Stage #2: With hydrogenchloride In water pH=2;	50%

: N-[(phenylacetyl)oxy]-2-{2-[2-(dipropylamino)ethyl]phenyl}acetamide hydrochloride

: 91374-20-8
ropinirole hydrochloride

Conditions

Conditions	Yield
Stage #1: N-[(phenylacetyl)oxy]-2-{2-[2-(dipropylamino)ethyl]phenyl}acetamide hydrochloride With iron(III) chloride In dichloromethane for 2h; Heating / reflux; Stage #2: With ammonia In methanol; dichloromethane; water Stage #3: With hydrogenchloride In water; isopropyl alcohol Product distribution / selectivity;	41.7%

: 863436-07-1
2-{2-[2-(dipropylamino)ethyl]phenyl}-N-hydroxyacetamide

: 91374-20-8
ropinirole hydrochloride

Conditions

Conditions	Yield
Stage #1: 2-{2-[2-(dipropylamino)ethyl]phenyl}-N-hydroxyacetamide With acetyl chloride In dichloromethane at 20℃; for 0.5h; Stage #2: With iron(III) chloride In dichloromethane at 50℃; for 2h; Heating / reflux; Stage #3: With hydrogenchloride; ammonia Product distribution / selectivity; more than 3 stages;	41.1%
Stage #1: 2-{2-[2-(dipropylamino)ethyl]phenyl}-N-hydroxyacetamide With benzoyl chloride In dichloromethane at 20℃; for 0.5h; Stage #2: With iron(III) chloride In dichloromethane for 2h; Heating / reflux; Stage #3: With hydrogenchloride; ammonia Product distribution / selectivity; more than 3 stages;	25.3%

: 4-(2'-aminoethyl)-1,3-dihydro-2H-indol-2-one hydrochloride

: 123-38-6
propionaldehyde

: 91374-20-8
ropinirole hydrochloride

Conditions

Conditions	Yield
With hydrogen; palladium 10% on activated carbon In methanol at 20℃; under 3677.86 Torr; for 24h;	41%

Raw Materials

142-84-7

Downstream Products

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Specification

The Ropinirole hydrochloride with CAS registry number of 91374-20-8 is also known as 2H-Indol-2-one, 4-[2-(dipropylamino)ethyl]-1,3-dihydro-, hydrochloride (1:1). The IUPAC name is 4-[2-(Dipropylamino)ethyl]-1,3-dihydroindol-2-one hydrochloride. It belongs to product categories of Medicine intermediate; Intermediates & Fine Chemicals; Pharmaceuticals; Ropinirole. This chemical is a off-white solid and can be used as an antiparkinsonian agent or a selective dopamine D2-receptor agonist. In addition, the formula is C₁₆H₂₄N₂O.ClH and the molecular weight is 296.84.

Physical properties about Ropinirole hydrochloride are: (1)ACD/LogP: 3.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.15; (4)ACD/LogD (pH 7.4): 1.2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.59; (7)ACD/KOC (pH 5.5): 1.19; (8)ACD/KOC (pH 7.4): 13.1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 23.55Å²; (13)Flash Point: 202 °C; (14)Enthalpy of Vaporization: 66.28 kJ/mol; (15)Boiling Point: 410.5 °C at 760 mmHg; (16)Vapour Pressure: 6.01E-07 mmHg at 25 °C.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes and skin and harmful if swallowed. What's more, it's very toxic to aquatic organisms, and may cause long-term adverse effects in the aquatic environment. During using it, wear suitable protective clothing, gloves and eye/face protection. This material and its container must be disposed of as hazardous waste and avoid release to the environment refer to special instructions/safety data sheet. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1. SMILES: Cl.O=C2Nc1cccc(c1C2)CCN(CCC)CCC
2. InChI: InChI=1/C16H24N2O.ClH/c1-3-9-18(10-4-2)11-8-13-6-5-7-15-14(13)12-16(19)17-15;/h5-7H,3-4,8-12H2,1-2H3,(H,17,19);1H
3. InChIKey: XDXHAEQXIBQUEZ-UHFFFAOYAE
4. Std. InChI: InChI=1S/C16H24N2O.ClH/c1-3-9-18(10-4-2)11-8-13-6-5-7-15-14(13)12-16(19)17-15;/h5-7H,3-4,8-12H2,1-2H3,(H,17,19);1H
5. Std. InChIKey: XDXHAEQXIBQUEZ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	intravenous	71mg/kg (71mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS	Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 24(Suppl,
rat	LD50	oral	396mg/kg (396mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS	Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 24(Suppl,