CAS No.2022-85-7,Fluorocytosine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2022-85-7
Name:	Fluorocytosine
Article Data:	31

Formula:	C₄H₄FN₃O
Molecular Weight:	129.094
Synonyms:	5-Flurocytosine;4-amino-5-fluoro-3H-pyrimidin-2-one;Flucytosinum [INN-Latin];Ro 2-9915;Fluorcytosine;Flucytosin;Ancobon (TN);4-Amino-5-fluoro-2-pyrimidinol;Flucitosina [DCIT];5-Fluorocystosine;4-Amino-5-fluoro-2(1H)-pyrimidinone;Ancotyl;6-Amino-2-oxo-5-fluoropyrimidine;2-Hydroxy-4-amino-5-fluoropyrimidine;Flucytosine;Flucytosine (JP14/USP);5-FC;5FC;Alcobon;Cytosine, 5-fluoro- (6CI,7CI,8CI);5-Fluorocytosin;2(1H)-Pyrimidinone, 4-amino-5-fluoro- (8CI)(9CI);Ancotil;Ancobon;Cytosine, 5-fluoro-;
EINECS:	217-968-7
Density:	1.73 g/cm³
Melting Point:	298-300 °C (dec.)(lit.)
Boiling Point:	298oC
Flash Point:	96.4°C
Solubility:	1.5g/100mL (25 °C) in water
Appearance:	white crystalline solid
Hazard Symbols:	Xn, T, Xi
Risk Codes:	40-36/37/38
Safety:	22-24/25-45-36/37-36/37/39-27-26
PSA:	71.77000
LogP:	0.07240

Synthetic route

: 99429-06-8
2,5-difluoro-4-chloro-pyrimidine

: 2022-85-7
Flucytosine

Conditions

Conditions	Yield
With ammonia In hydrogenchloride; ethanol; water	98.1%

: 71-30-7
Cytosine

: 2022-85-7
Flucytosine

Conditions

Conditions	Yield
Stage #1: Cytosine With hydrogen fluoride at -15 - 0℃; Inert atmosphere; Stage #2: at -20℃; for 4h; Inert atmosphere; Further stages;	95.7%
With 1,1,1,3',3',3'-hexafluoro-propanol; fluorine at 20℃; under 1125.11 Torr; Temperature; Pressure; Reagent/catalyst; Inert atmosphere;	87.4%
With formic acid for 1.5h; Time; Flow reactor; Autoclave;	63%
With formic acid; fluorine at 9℃; for 0.0833333h; Temperature; Concentration; Inert atmosphere;

: 1993-63-1
4-amino-5-fluoro-2-methoxypyrimidine

: 2022-85-7
Flucytosine

Conditions

Conditions	Yield
With hydrogenchloride In methanol; water at 40 - 60℃;	95%
With hydrogenchloride In water at 100℃; for 4h;	57%

: 945548-37-8
N-acetyl-5-bromocytosine

: 2022-85-7
Flucytosine

Conditions

Conditions	Yield
Stage #1: N-acetyl-5-bromocytosine With acetamide; potassium fluoride In N,N-dimethyl-formamide at 130℃; for 5h; Inert atmosphere; Stage #2: With ammonia In methanol at 40℃; for 12h; Reagent/catalyst; Solvent; Temperature;	93%

: N-9-fluorenylmethoxycarbonyl-5-bromocytosine

: 2022-85-7
Flucytosine

Conditions

Conditions	Yield
Stage #1: N-9-fluorenylmethoxycarbonyl-5-bromocytosine With potassium fluoride; tetrabutyl ammonium fluoride In N,N-dimethyl-formamide at 110℃; for 10h; Inert atmosphere; Stage #2: With sodium hydroxide In 1,4-dioxane at 50℃; for 2h; Inert atmosphere;	91.1%

: C7H12FNO2

: 57-13-6
urea

: 2022-85-7
Flucytosine

Conditions

Conditions	Yield
Stage #1: C7H12FNO2; urea With sodium methylate In 5,5-dimethyl-1,3-cyclohexadiene at 80℃; for 1.5h; Large scale; Stage #2: With hydrogenchloride In water at 0 - 25℃; for 2h; pH=6; pH-value; Temperature; Large scale;	84.2%

: 5-fluoropyrimidine-2,4-diamine

: 2022-85-7
Flucytosine

Conditions

Conditions	Yield
With sulfuric acid; water; sodium nitrite at 1 - 20℃; for 1.7h;	83%
With sulfuric acid; sodium nitrite In water at 0 - 40℃;	82%

: 71-30-7
Cytosine

A: 2022-85-7
Flucytosine

B: C4H5F2N3O2

Conditions

Conditions	Yield
With formic acid for 1.5h; Time; Flow reactor; Sealed tube;	A 66% B n/a
With formic acid; fluorine for 1.5h; Flow reactor; Overall yield = 64 %;

: 1312324-60-9
5-fluoro-2-(methylsulfonyl)pyrimidin-4-amine

: 2022-85-7
Flucytosine

Conditions

Conditions	Yield
With sodium hydroxide In 1,4-dioxane; water at 20℃; for 3h;	66%

: 134379-77-4
β-D-2',3'-didehydro-2',3'-dideoxy-5-fluorocytidine

A: 98-00-0
(2-furyl)methyl alcohol

B: 2022-85-7
Flucytosine

Conditions

Conditions	Yield
With acetic acid at 35 - 40℃; for 1h; pH=3 - 4; Product distribution; Further Variations:; pH-values; Temperatures;	A 58% B n/a

Raw Materials

Downstream Products

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Chemistry

Molecular structure of Fluorocytosine (CAS NO.2022-85-7) is:

Product Name: Fluorocytosine
CAS Registry Number: 2022-85-7
IUPAC Name: 6-amino-5-fluoro-1H-pyrimidin-2-one
Molecular Weight: 129.092463 [g/mol]
Molecular Formula: C₄H₄FN₃O
XLogP3-AA: -0.9
H-Bond Donor: 2
H-Bond Acceptor: 3
EINECS: 217-968-7
Melting Point: 298-300 °C (dec.)(lit.)
Surface Tension: 58.8 dyne/cm
Density: 1.73 g/cm³
Storage temp.: 2-8 °C
Water Solubility: 1.5g/100mL (25 °C)
Sensitive: Light Sensitive
Product Categories: PYRIMIDINE;Pyridines, Pyrimidines, Purines and Pteredines;Pyrimidine series;API;Phenylacetic acid;ketone;Nucleotides and Nucleosides;Antifungals for Research and Experimental Use;Biochemistry;Chemical Reagents for Pharmacology Research;Nucleobases and their analogs;Nucleosides, Nucleotides & Related Reagents;Nucleic acids;Bases & Related Reagents;Nucleotides

Uses

Fluorocytosine (CAS NO.2022-85-7) is a synthetic antimycotic drug.

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD12	oral	500mg/kg (500mg/kg)		British UK Patent Application. Vol. #2067993,
mouse	LD50	intraperitoneal	1190mg/kg (1190mg/kg)		Antimicrobial Agents and Chemotherapy Vol. -, Pg. 566, 1963.
mouse	LD50	intravenous	500mg/kg (500mg/kg)		Antimicrobial Agents and Chemotherapy Vol. -, Pg. 566, 1963.
mouse	LD50	subcutaneous	1gm/kg (1000mg/kg)		Chemotherapy Vol. 25, Pg. 54, 1979.
rat	LD50	intraperitoneal	3811mg/kg (3811mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 10, Pg. 710, 1979.
rat	LD50	intravenous	> 600mg/kg (600mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 10, Pg. 710, 1979.
rat	LD50	oral	> 15gm/kg (15000mg/kg)		Drugs in Japan Vol. 6, Pg. 699, 1982.
rat	LD50	subcutaneous	3336mg/kg (3336mg/kg)		Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 21, Pg. 935, 1979.
women	TDLo	oral	1080mg/kg/10D (1080mg/kg)	BRAIN AND COVERINGS: OTHER DEGENERATIVE CHANGES BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) BEHAVIORAL: ATAXIA	European Journal of Clinical Pharmacology. Vol. 51, 505.

Safety Profile

Hazard Codes: Harmful Xn,Xi ; Toxic T
Risk Statements: 40-36/37/38
R40:Limited evidence of a carcinogenic effect.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 22-24/25-45-36/37-36/37/39-27-26
S22:Do not breathe dust.
S24/25:Avoid contact with skin and eyes.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S36/37:Wear suitable protective clothing and gloves.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S27:Take off immediately all contaminated clothing.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 2
RTECS: HA6040000
F: 10-23
Hazard Note: Toxic/Light Sensitive
HazardClass: IRRITANT, LIGHT SENSITIVE

Specification

Fluorocytosine , its cas register number is 2022-85-7. It also can be called 2-Hydroxy-4-amino-5-fluoropyrimidine ; 4-Amino-5-fluoro-2(1H)-pyrimidinone ; 5-Fluorocytosine ; Alcobon ; Ancobon ; Ancotil .It is a white crystalline solid.

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