CAS No.124832-27-5,Valacyclovir hydrochloride Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	124832-27-5
Name:	Valacyclovir hydrochloride
Article Data:	12

Formula:	C₁₃H₂₁ClN₆O₄
Molecular Weight:	360.801
Synonyms:	L-Valine,2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]ethyl ester,monohydrochloride (9CI);L-Valine, ester with 9-((2-hydroxyethoxy)methyl)guanine,;Valacyclovir HCL;
EINECS:	641-092-8
Density:	1.55g/cm3
Melting Point:	170-172 °C
Boiling Point:	588.4 °C at 760 mmHg
Flash Point:	309.7 °C
Appearance:	White to off-white crystalline power
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	151.14000
LogP:	1.28590

Synthetic route

: 124832-31-1
2-[(2-amino-1,6-dihydro-6-oxo-9H-purine-9-yl)methoxy]ethyl N-[(benzyloxy)carbonyl]-L-valinate

: 124832-27-5
valacyclovir Hydrochloride

Conditions

Conditions	Yield
Stage #1: 2-[(2-amino-1,6-dihydro-6-oxo-9H-purine-9-yl)methoxy]ethyl N-[(benzyloxy)carbonyl]-L-valinate With 5 % alumina-supported palladium; hydrogen In N,N-dimethyl-formamide at 30℃; under 2942.29 Torr; Stage #2: With hydrogenchloride In water at 10℃; pH=3 - 4;	98.5%
With hydrogenchloride; 5%-palladium/activated carbon; hydrogen In water at 25 - 30℃; under 2250.23 - 6000.6 Torr; Concentration;	92%
With hydrogenchloride; 5%-palladium/activated carbon; hydrogen In water at 25 - 30℃; under 2250.23 - 6000.6 Torr;	92%

: 59277-89-3
acycloguanosine

: 124832-27-5
valacyclovir Hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 3.5 g / 4-dimethylaminopyridine; DCC / dimethylformamide / 66 h / 20 °C 2: aq. HCl; hydrogen / palladium on charcoal / methanol; tetrahydrofuran / 18 h / 20 °C View Scheme

: 102728-64-3
9-[(acetoxyethoxy)methyl]guanine

: 124832-27-5
valacyclovir Hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: SIRC cell lysate; Dulbecco's Modified Phosphite-Buffer Saline / 34 °C / pH 7.4 2: 3.5 g / 4-dimethylaminopyridine; DCC / dimethylformamide / 66 h / 20 °C 3: aq. HCl; hydrogen / palladium on charcoal / methanol; tetrahydrofuran / 18 h / 20 °C View Scheme

: 124832-31-1
2-[(2-amino-1,6-dihydro-6-oxo-9H-purine-9-yl)methoxy]ethyl N-[(benzyloxy)carbonyl]-L-valinate

A 2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl) methoxy]ethyl-L-valinate hydrochloride: 2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl) methoxy]ethyl-L-valinate hydrochloride

B: 124832-27-5
valacyclovir Hydrochloride

Conditions

Conditions	Yield
With hydrogenchloride; formic acid; palladium In water; acetone

: 124832-26-4
Valacyclovir

: 124832-27-5
valacyclovir Hydrochloride

Conditions

Conditions	Yield
With hydrogenchloride In water; N,N-dimethyl-formamide; acetonitrile at 0 - 5℃; for 0.5h; pH=2; Product distribution / selectivity;
With hydrogenchloride In water; ethyl acetate; N,N-dimethyl-formamide at 5 - 50℃; for 0.5h; pH=2; Product distribution / selectivity;
With hydrogenchloride In water; N,N-dimethyl-formamide; isopropyl alcohol at 3 - 5℃; for 0.5h; pH=2; Product distribution / selectivity;
With hydrogenchloride In tetrahydrofuran; water; N,N-dimethyl-formamide at 15℃; for 0.5h; pH=2; Product distribution / selectivity;
With hydrogenchloride In water; N,N-dimethyl-formamide; acetone at 5 - 50℃; for 0.5h; pH=2; Product distribution / selectivity;

: 502421-44-5
Boc-L-valacyclovir

: 124832-27-5
valacyclovir Hydrochloride

Conditions

Conditions	Yield
With hydrogenchloride In methanol; dichloromethane; water at 80℃; Solvent; Temperature; Flow reactor;	31 g

: 124832-27-5
valacyclovir Hydrochloride

: 2-[(2-Amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]ethyl L-valinate hydrochloride monohydrate

Conditions

Conditions	Yield
With water In ethanol at 20 - 75℃; Product distribution / selectivity; Heating / reflux;

: 124832-27-5
valacyclovir Hydrochloride

: Valacyclovir hydrochloride dihydrate

Conditions

Conditions	Yield
With water In ethanol at 20℃;
With water In N,N-dimethyl-formamide at 51℃; for 0.166667h;

: 124832-27-5
valacyclovir Hydrochloride

: valacyclovir hydrochloride sesquihydrate

Conditions

Conditions	Yield
With water In ethanol at 20℃;

: 124832-27-5
valacyclovir Hydrochloride

: 59277-89-3
acycloguanosine

Conditions

Conditions	Yield
With ammonia In methanol; chloroform at 20℃; for 0.25h;

Raw Materials

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Chemistry

Molecular Structure:

Molecular Formula: C₁₃H₂₁ClN₆O₄
Molecular Weight: 360.80
IUPAC Name: 2-[(2-Amino-6-oxo-3H-purin-9-yl)methoxy]ethyl (2S)-2-amino-3-methylbutanoate hydrochloride
Synonyms of Valaciclovir Hydrochloride (CAS NO.124832-27-5): L-Valine, 2-((2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy)ethyl ester, monohydrochloride ; L-Valine, 2-((2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy)ethyl ester, monohydrochloride ; Valaciclovir hydrochloride ; Valacyclovir ; Valtrex
CAS NO: 124832-27-5
H bond acceptors: 10
H bond donors: 5
Freely Rotating Bonds: 9
Polar Surface Area: 92.5 Å²
Flash Point: 309.7 °C
Enthalpy of Vaporization: 87.84 kJ/mol
Boiling Point: 588.4 °C at 760 mmHg
Vapour Pressure: 7.95E-14 mmHg at 25°C
Melting Point: 170-172°C
Appearance: White Crystalline Powder
SMILES: Cl.O=C(OCCOCn1c2N\C(=N/C(=O)c2nc1)N)[C@@H](N)C(C)C
InChI: InChI=1/C13H20N6O4.ClH/c1-7(2)8(14)12(21)23-4-3-22-6-19-5-16-9-10(19)17-13(15)18-11(9)20;/h5,7-8H,3-4,6,14H2,1-2H3,(H3,15,17,18,20);1H/t8-;/m0./s1
InChIKey: ZCDDBUOENGJMLV-QRPNPIFTBK
Std. InChI: InChI=1S/C13H20N6O4.ClH/c1-7(2)8(14)12(21)23-4-3-22-6-19-5-16-9-10(19)17-13(15)18-11(9)20;/h5,7-8H,3-4,6,14H2,1-2H3,(H3,15,17,18,20);1H/t8-;/m0./s1
Std. InChIKey: ZCDDBUOENGJMLV-QRPNPIFTSA-N
Product Categories of Valaciclovir Hydrochloride (CAS NO.124832-27-5): Active Pharmaceutical Ingredients;Nucleotides and Nucleosides;Bases & Related Reagents;Intermediates & Fine Chemicals;Nucleotides;Pharmaceuticals;API's;Valacyclovir

Uses

Valaciclovir Hydrochloride (CAS NO.124832-27-5) is used as anti-virus medicament.

Safety Profile

Safety Information of Valaciclovir Hydrochloride (CAS NO.124832-27-5):
Hazard Codes: Irritant Xi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36: Wear suitable protective clothing.