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Cas Database

Name	Trimetazidine	EINECS	225-690-2
CAS No.	5011-34-7	Density	1.092 g/cm³
PSA	42.96000	LogP	1.38430
Solubility	N/A	Melting Point	200 - 205oC
Formula	C₁₄H₂₂N₂O₃	Boiling Point	364 °C at 760 mmHg
Molecular Weight	266.34	Flash Point	174 °C
Transport Information	N/A	Appearance	hite or off-white crystalline powder
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	Xi
Synonyms	1-(2,3,4-Trimethoxybenzyl)piperazine;1-[(2,3,4-Trimethoxyphenyl)methyl]piperazine;Preductal;Vasorel;	Article Data	7

Trimetazidine Synthetic route

: 1133-49-9
2,3,4-trimethoxybenzyl chloride

: 57260-71-6
1-t-Butoxycarbonylpiperazine

: 5011-34-7
1-(2,3,4-trimethoxybenzyl)piperazine

Conditions

Conditions	Yield
Stage #1: 2,3,4-trimethoxybenzyl chloride; 1-t-Butoxycarbonylpiperazine With methanol; sodium hydroxide at 35 - 45℃; for 4h; Stage #2: With hydrogenchloride In water at 35 - 45℃; for 2h;	92.1%

: 53531-01-4
4-(2,3,4-trimethoxy-benzyl)-piperazine-1-carboxylic acid ethyl ester

: 5011-34-7
1-(2,3,4-trimethoxybenzyl)piperazine

Conditions

Conditions	Yield
With potassium hydroxide In ethanol at 130℃; for 2.5h;

: 2103-57-3
2,3,4-trimethoxybenzaldehyde

: 5011-34-7
1-(2,3,4-trimethoxybenzyl)piperazine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: NaBH3CN, AcOH / 16 h / Ambient temperature 2: aq. KOH / ethanol / 2.5 h / 130 °C View Scheme

: 79-04-9
chloroacetyl chloride

: 5011-34-7
1-(2,3,4-trimethoxybenzyl)piperazine

: 123580-45-0
1-(1-chloroacetyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine

Conditions

Conditions	Yield
In dichloromethane	100%

: 98-03-3
thiophene-2-carbaldehyde

: 7677-24-9
trimethylsilyl cyanide

: 5011-34-7
1-(2,3,4-trimethoxybenzyl)piperazine

: 1449498-33-2
2-(thiophen-2-yl)-2-(4-(2,3,4-trimethoxybenzyl)piperazin-1-yl)acetonitrile

Conditions

Conditions	Yield
With indium In water at 20℃; Green chemistry;	93%

: 7677-24-9
trimethylsilyl cyanide

: 4265-16-1
2-formylbenzo[b]furan

: 5011-34-7
1-(2,3,4-trimethoxybenzyl)piperazine

: 1449498-50-3
2-(benzofuran-2-yl)-2-(4-(2,3,4-trimethoxybenzyl)piperazin-1-yl)acetonitrile

Conditions

Conditions	Yield
With indium In water at 20℃; Green chemistry;	92%

: 3541-37-5
benzothiophene-2-carboxaldehyde

: 7677-24-9
trimethylsilyl cyanide

: 5011-34-7
1-(2,3,4-trimethoxybenzyl)piperazine

: 1449498-44-5
2-(benzo[b]thiophen-2-yl)-2-(4-(2,3,4-trimethoxybenzyl)piperazin-1-yl)acetonitrile

Conditions

Conditions	Yield
With indium In water at 20℃; Green chemistry;	91%

: 5011-34-7
1-(2,3,4-trimethoxybenzyl)piperazine

: 138112-84-2
S 20251

: N-[2-(7-Methoxy-naphthalen-1-yl)-ethyl]-2-[4-(2,3,4-trimethoxy-benzyl)-piperazin-1-yl]-acetamide

Conditions

Conditions	Yield
With triethylamine for 1h; Heating;	90%

: 5011-34-7
1-(2,3,4-trimethoxybenzyl)piperazine

: 440341-75-3
3-[(4-chlorobenzoyl)amino]propionic acid

: C24H30ClN3O5

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 20℃;	88%

: 27064-94-4
4,4'-difluorobenzhydryl chloride

: 5011-34-7
1-(2,3,4-trimethoxybenzyl)piperazine

: 101477-54-7
KB-2796 dihydrochloride

Conditions

Conditions	Yield
Stage #1: 4,4'-difluorobenzhydryl chloride; 1-(2,3,4-trimethoxybenzyl)piperazine With triethylamine In methanol at 65 - 75℃; for 10h; Stage #2: With hydrogenchloride In ethanol at 45℃; for 2h;	87.4%

Trimetazidine Chemical Properties

Molecular Structure of Trimetazidine (CAS NO.5011-34-7):

IUPAC Name: 1-[(2,3,4-trimethoxyphenyl)methyl]piperazine
Empirical Formula: C₁₄H₂₂N₂O₃
Molecular Weight: 266.3361
H bond acceptors: 5
H bond donors: 1
Freely Rotating Bonds: 5
Polar Surface Area: 34.17 Å²
Index of Refraction: 1.523
Molar Refractivity: 74.56 cm³
Molar Volume: 243.8 cm³
Surface Tension: 37.8 dyne/cm
Density: 1.092 g/cm³
Flash Point: 174 °C
Enthalpy of Vaporization: 61.02 kJ/mol
Boiling Point: 364 °C at 760 mmHg
Vapour Pressure: 1.73E-05 mmHg at 25°C
EINECS: 225-690-2
InChI
InChI=1/C14H22N2O3/c1-17-12-5-4-11(13(18-2)14(12)19-3)10-16-8-6-15-7-9-16/h4-5,15H,6-10H2,1-3H3
Smiles
c1(c(c(c(OC)cc1)OC)OC)CN1CCNCC1
Classification Code: Cardiovascular Agents; Vasodilator agents

Trimetazidine Safety Profile

Hazard Codes: Xi
HazardClass: Irritant

Trimetazidine Specification

Trimetazidine , with CAS number of 5011-34-7, can be called 1-[(2,3,4-Trimethoxyphenyl)methyl]piperazine ; 1-(2,3,4-Trimethoxybenzyl)piperazine ; Piperazine, 1-((2,3,4-trimethoxyphenyl)methyl)- ; Vastarel ; Kyurinett .

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