CAS No.68475-42-3,Anagrelide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	68475-42-3
Name:	Anagrelide
Article Data:	14

Formula:	C₁₀H₇Cl₂N₃O
Molecular Weight:	256.091
Synonyms:	6,7-Dichloro-1,5-dihydroimidazo[2,1-β]quinazolin-2(3H)-one;Anagrelide;Xagrid;
EINECS:	1312995-182-4
Density:	1.77 g/cm³
Melting Point:	280 °C
Boiling Point:	376.5 °C at 760 mmHg
Flash Point:	181.5 °C
Solubility:	slightly soluble in water
PSA:	44.70000
LogP:	1.62860

Synthetic route

: anagrelide hemiformate

: 68475-42-3
anagrelide

Conditions

Conditions	Yield
With water In ethanol at 23℃; for 3h;	99%

: ethyl (2‑amino‑5,6‑dichloroquinazoline‑3(4H)‑yl)acetate

: 68475-42-3
anagrelide

Conditions

Conditions	Yield
Stage #1: ethyl (2‑amino‑5,6‑dichloroquinazoline‑3(4H)‑yl)acetate With sodium hydrogencarbonate In ethanol at 20℃; for 1h; pH=8 - 9; Stage #2: With sodium hydroxide In ethanol at 4 - 20℃; for 1.5h; pH=10 - 11;	80%

: 70406-92-7
N-(6-amino-2,3-dichlorobenzyl)glycine ethyl ester

: 29671-92-9
chloroformamidine hydrochloride

: 68475-42-3
anagrelide

Conditions

Conditions	Yield
Stage #1: N-(6-amino-2,3-dichlorobenzyl)glycine ethyl ester; chloroformamidine hydrochloride With acetic acid In acetonitrile at 90℃; for 5h; Inert atmosphere; Stage #2: With N-ethyl-N,N-diisopropylamine In acetonitrile for 1.25h; Concentration; Temperature; Time; Solvent;	73%

: (2-amino-5,6-dichloroquinazolin-3(4H)-yl)acetic acid ethyl ester hydrobromide

: 68475-42-3
anagrelide

Conditions

Conditions	Yield
With sodium hydrogencarbonate In water at 37℃; for 1h; pH=8 - 10; Product distribution / selectivity;

: (2-amino-5,6-dichloroquinazolin-3(4H)-yl)acetic acid methyl ester hydrochloride

: 68475-42-3
anagrelide

Conditions

Conditions	Yield
In water at 37℃; for 1h; pH=7; Product distribution / selectivity;
With sodium hydrogencarbonate In water at 37℃; for 1h; pH=8 - 10; Product distribution / selectivity;
With sodium hydroxide In water at 37℃; for 1h; Product distribution / selectivity;

: (2-amino-5,6-dichloroquinazolin-3(4H)-yl)acetic acid ethyl ester hydrochloride

: 68475-42-3
anagrelide

Conditions

Conditions	Yield
With sodium hydrogencarbonate In water at 37℃; for 1h; pH=8 - 10; Product distribution / selectivity;

: 146374-56-3
ethyl-(2-cyanoimino-5,6-dichloro-1,2,3,4-tetrahydroquinazolin-3-yl) acetate

: 68475-42-3
anagrelide

Conditions

Conditions	Yield
With hydrogenchloride; potassium carbonate In ethylene glycol
With acetic acid	0.116 g (91%)
With hydrogenchloride In N-methyl-acetamide	0.070 g (54.7%)

: 146374-57-4
(2-cyanoimino-5,6-dichloro-1,2,3,4-tetrahydroquinazolin-3-yl) acetonitrile

: 68475-42-3
anagrelide

Conditions

Conditions	Yield
With potassium carbonate In ethylene glycol

: ethyl 5,6-dichloro-3,4-dihydro-2(1H)-iminoquinazoline-3-acetate hydrobromide

: 68475-42-3
anagrelide

Conditions

Conditions	Yield
With triethylamine In ethanol	179 g (92%)

: 146374-57-4
(2-cyanoimino-5,6-dichloro-1,2,3,4-tetrahydroquinazolin-3-yl)-acetonitrile

A 6,7-Dichioro-1,5-dihydroimidazo[2,1-b]quinazolin-2[3 H ]-one hydrochloride semihydrate: 6,7-Dichioro-1,5-dihydroimidazo[2,1-b]quinazolin-2[3 H ]-one hydrochloride semihydrate

B: 68475-42-3
anagrelide

Conditions

Conditions	Yield
With potassium carbonate In ethylene glycol

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Specification

The Imidazo[2,1-β]quinazolin-2(3H)-one,6,7-dichloro-1,5-dihydro-, with the CAS registry number 68475-42-3, is also known as Anagrelide. It belongs to the product category of Drugs. This chemical's molecular formula is C₁₀H₇Cl₂N₃O and molecular weight is 256.09. What's more, its systematic name is 6,7-Dichloro-5,10-dihydroimidazo[2,1-β]quinazolin-2(3H)-one and its IUPAC name is 6,7-Dichloro-5,10-dihydro-3H-imidazo[2,1-β]quinazolin-2-one.

Physical properties about Imidazo[2,1-β]quinazolin-2(3H)-one,6,7-dichloro-1,5-dihydro- are: (1) ACD/LogP: 1.96; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.96; (4) ACD/LogD (pH 7.4): 1.96; (5) ACD/BCF (pH 5.5): 18.19; (6) ACD/BCF (pH 7.4): 18.19; (7) ACD/KOC (pH 5.5): 277.51; (8) ACD/KOC (pH 7.4): 277.62; (9) #H bond acceptors: 4; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 0; (12) Polar Surface Area: 35.91 Å²; (13) Index of Refraction: 1.79; (14) Molar Refractivity: 61.09 cm³; (15) Molar Volume: 144.1 cm³; (16) Polarizability: 24.22×10^-24cm³; (17) Surface Tension: 67.3 dyne/cm; (18) Density: 1.77 g/cm³; (19) Flash Point: 181.5 °C; (20) Enthalpy of Vaporization: 62.42 kJ/mol; (21) Boiling Point: 376.5 °C at 760 mmHg; (22) Vapour Pressure: 7.21E-06 mmHg at 25 °C; (23) Melting point: 280 °C.

Preparation of Imidazo[2,1-β]quinazolin-2(3H)-one,6,7-dichloro-1,5-dihydro-: this chemical is prepared by reaction of Ethyl (2-cyanoimino-5,6-dichlorine-1,2,3,4-tetrahydroquinazolin-3-yl)acetate with Acetic acid.

The reaction time is 0.5 hour and the temperature is 100 °C. The yield is 91%.

You can still convert the following datas into molecular structure:
(1) SMILES: C1C2=C(C=CC(=C2Cl)Cl)NC3=NC(=O)CN31
(2) InChI: InChI=1S/C10H7Cl2N3O/c11-6-1-2-7-5(9(6)12)3-15-4-8(16)14-10(15)13-7/h1-2H,3-4H2,(H,13,14,16)
(3) InChIKey: OTBXOEAOVRKTNQ-UHFFFAOYSA-N