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CAS No.: | 10212-20-1 |
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Name: | 4-Amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one |
Article Data: | 30 |
Molecular Structure: | |
Formula: | C9H12FN3O4 |
Molecular Weight: | 245.21 |
Synonyms: | UNII-LCY080JPY9;4-Amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;2'-Fluoro-2'-deoxy-b-D-ribofuranosylcytosine;2'-Fluoro-2'-deoxycytidine;NSC 529432; |
EINECS: | 233-515-6 |
Density: | 1.82 g/cm3 |
Melting Point: | 167 °C |
Boiling Point: | 500.1 °C at 760 mmHg |
Flash Point: | 256.2 °C |
Appearance: | White or almost white crystalline powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 110.60000 |
LogP: | -1.00460 |
9-<2-deoxy-2-fluoro-3,5-di-O-(tetrahydropyran-2-yl)-β-D-ribofuranosyl>cytosine
2'-deoxy-2'-fluorocytidine
Conditions | Yield |
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With ethanol; pyridinium p-toluenesulfonate for 24h; Heating; | 66% |
2'-deoxy-2'-fluorocytidine
Conditions | Yield |
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With ammonium hydroxide at 50℃; | 56% |
2'-deoxy-2'-fluorocytidine
Conditions | Yield |
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With N,N-dimethyl-ethanamine In methanol at 50℃; for 24h; Yield given; |
cyclocitidine
2'-deoxy-2'-fluorocytidine
Conditions | Yield |
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With potassium fluoride |
3’,5’-O-acetyl-2’-deoxy-2’-fluorouridine
2'-deoxy-2'-fluorocytidine
Conditions | Yield |
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Multi-step reaction with 3 steps 1: (PhO)2POCl, Et3N / acetonitrile / 1.5 h / Ambient temperature 2: 32percent aq. NH3 / dioxane / 0.33 h 3: EtNMe2 / methanol / 24 h / 50 °C View Scheme |
2'-deoxy-2'-fluorouridine
2'-deoxy-2'-fluorocytidine
Conditions | Yield |
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Multi-step reaction with 4 steps 1: 92 percent / pyridine / 2 h / Ambient temperature 2: (PhO)2POCl, Et3N / acetonitrile / 1.5 h / Ambient temperature 3: 32percent aq. NH3 / dioxane / 0.33 h 4: EtNMe2 / methanol / 24 h / 50 °C View Scheme |
Acetic acid (2R,3R,4R,5R)-2-acetoxymethyl-4-fluoro-5-[4-(3-nitro-[1,2,4]triazol-1-yl)-2-oxo-2H-pyrimidin-1-yl]-tetrahydro-furan-3-yl ester
2'-deoxy-2'-fluorocytidine
Conditions | Yield |
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Multi-step reaction with 2 steps 1: 32percent aq. NH3 / dioxane / 0.33 h 2: EtNMe2 / methanol / 24 h / 50 °C View Scheme |
2,2'-Anhydrouridine
2'-deoxy-2'-fluorocytidine
Conditions | Yield |
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Multi-step reaction with 5 steps 1: 87 percent / p-TsOH / dimethylformamide / 2.5 h / 0 °C 2: 25.1 g / 1 N aq. NaOH / methanol / 1.5 h / Ambient temperature 3: 57 percent / diethylaminosulfur trifluoride (DAST), pyridine / CH2Cl2 / 3 h / Heating 4: 1.) 4-chlorophenyl phosphorodichloridate, 1,2,4-triazole, pyridine, 2.) conc. NH4OH / 1.) RT, 2 d, 2.) dioxane, RT, 1 d 5: 66 percent / pyridinium p-toluenesulfonate (PPTS), C2H5OH / 24 h / Heating View Scheme |
3',5'-di-O-(tetrahydropyran-2-yl)-2,2'-O-cyclouridine
2'-deoxy-2'-fluorocytidine
Conditions | Yield |
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Multi-step reaction with 4 steps 1: 25.1 g / 1 N aq. NaOH / methanol / 1.5 h / Ambient temperature 2: 57 percent / diethylaminosulfur trifluoride (DAST), pyridine / CH2Cl2 / 3 h / Heating 3: 1.) 4-chlorophenyl phosphorodichloridate, 1,2,4-triazole, pyridine, 2.) conc. NH4OH / 1.) RT, 2 d, 2.) dioxane, RT, 1 d 4: 66 percent / pyridinium p-toluenesulfonate (PPTS), C2H5OH / 24 h / Heating View Scheme |
9-<3,5-di-O-(tetrahydropyran-2-yl)-β-D-arabinofuranosyl>uracil
2'-deoxy-2'-fluorocytidine
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: 57 percent / diethylaminosulfur trifluoride (DAST), pyridine / CH2Cl2 / 3 h / Heating 2: 1.) 4-chlorophenyl phosphorodichloridate, 1,2,4-triazole, pyridine, 2.) conc. NH4OH / 1.) RT, 2 d, 2.) dioxane, RT, 1 d 3: 66 percent / pyridinium p-toluenesulfonate (PPTS), C2H5OH / 24 h / Heating View Scheme |
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The 2'-Deoxy-2'-fluorocytidine, with the CAS registry number 10212-20-1, is also known as 2'-Fluoro-2'-deoxycytidine. It belongs to the product categories of Biochemistry; Nucleosides and Their Analogs; Nucleosides, Nucleotides & Related Reagents. This chemical's molecular formula is C9H12FN3O4 and molecular weight is 245.21. Its IUPAC name is called . The product should be sealed and stored in cool, dry place.
Physical properties of 2'-Deoxy-2'-fluorocytidine: (1)ACD/LogP: -1.26; (2)ACD/LogD (pH 5.5): -1.26; (3)ACD/LogD (pH 7.4): -1.26; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 4.9; (7)ACD/KOC (pH 7.4): 4.91; (8)#H bond acceptors: 7; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.697; (12)Molar Refractivity: 51.66 cm3; (13)Molar Volume: 134 cm3; (14)Surface Tension: 71.3 dyne/cm; (15)Density: 1.82 g/cm3; (16)Flash Point: 256.2 °C; (17)Enthalpy of Vaporization: 88.51 kJ/mol; (18)Boiling Point: 500.1 °C at 760 mmHg; (19)Vapour Pressure: 4.27E-12 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)F
(2)Isomeric SMILES: C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)F
(3)InChI: InChI=1S/C9H12FN3O4/c10-6-7(15)4(3-14)17-8(6)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16)/t4-,6-,7-,8-/m1/s1
(4)InChIKey: NVZFZMCNALTPBY-XVFCMESISA-N