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5-fluoroorotic acid
Conditions | Yield |
---|---|
With hydrogenchloride In water at 50℃; for 3h; | 83% |
5-fluoroorotic acid
Conditions | Yield |
---|---|
With hydrogenchloride In water at 60℃; for 4h; | 79% |
ethyl 2-(methylmercapto)-4-hydroxy-5-fluoro-6-pyrimidinecarboxylate
5-fluoroorotic acid
Conditions | Yield |
---|---|
With hydrogenchloride for 4h; Heating; | 48.4% |
2-ethylsulfanyl-5-fluoro-6-oxo-1,6-dihydro-pyrimidine-4-carboxylic acid ethyl ester
5-fluoroorotic acid
Conditions | Yield |
---|---|
With hydrogenchloride | |
With hydrogenchloride |
5-fluoroorotic acid
methyl iodide
methyl 5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate
Conditions | Yield |
---|---|
Stage #1: 5-fluoroorotic acid With 1,8-diazabicyclo[5.4.0]undec-7-ene In N,N-dimethyl-d6-formamide at 20℃; for 1h; Stage #2: methyl iodide In N,N-dimethyl-formamide at 60℃; for 4h; | 70% |
Conditions | Yield |
---|---|
Stage #1: 5-fluoroorotic acid With 1,8-diazabicyclo[5.4.0]undec-7-ene In N,N-dimethyl-formamide for 0.5h; Stage #2: ethyl iodide In N,N-dimethyl-formamide at 60℃; for 2h; | 66% |
Stage #1: 5-fluoroorotic acid With 1,8-diazabicyclo[5.4.0]undec-7-ene In N,N-dimethyl-formamide for 0.5h; Stage #2: ethyl iodide In N,N-dimethyl-formamide at 60℃; for 2h; | |
Stage #1: 5-fluoroorotic acid With 1,8-diazabicyclo[5.4.0]undec-7-ene In N,N-dimethyl-formamide for 0.5h; Stage #2: ethyl iodide at 60℃; for 2h; |
Conditions | Yield |
---|---|
With 4-methyl-morpholine; N-ethoxycarbonyl-2-ethoxy-1,2-dihydroquinoline In N,N-dimethyl-formamide at 50 - 55℃; | 53% |
5-fluoroorotic acid
Fmoc-Val-OH
Fmoc-Leu-OH
Boc-Dap(Fmoc)-OH
Conditions | Yield |
---|---|
Multistep reaction; |
5-fluoroorotic acid
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 1-(ethoxycarbonyl)-2-ethoxy-1,2-dihydroquinoline, N-methylmorpholine / dimethylformamide / 36 h / 50 - 55 °C 2: 95 percent / 1N HCl in acetic acid / 2 h / Ambient temperature View Scheme |
5-fluoroorotic acid
Conditions | Yield |
---|---|
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In N,N-dimethyl-formamide at 20℃; Cooling with ice; |
The 5-Fluoroorotic acid, with the CAS registry number 703-95-7 and EINECS registry number 211-876-0, has the IUPAC name of 5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylic acid. It is a kind of white to off-white crystalline solid, and the molecular formula of this chemical is C5H3FN2O4. What's more, it inhibits the dietary induction of serine dehydratase, and often used as a research reagents in genetic engineering. Besides, it should be stored at -20°C.
The physical properties of 5-Fluoroorotic acid are as following: (1)ACD/LogP: -1.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.29; (4)ACD/LogD (pH 7.4): -4.84; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 66.92 Å2; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 31.9 cm3; (15)Molar Volume: 95.8 cm3; (16)Polarizability: 12.64×10-24cm3; (17)Surface Tension: 71.8 dyne/cm; (18)Density: 1.81 g/cm3.
You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin, and it is also harmful if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)\C1=C(/F)C(=O)NC(=O)N1
(2)InChI: InChI=1/C5H3FN2O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h(H,10,11)(H2,7,8,9,12)
(3)InChIKey: SEHFUALWMUWDKS-UHFFFAOYAV
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | 981mg/kg (981mg/kg) | National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986, | |
rat | LD50 | intraperitoneal | 300mg/kg (300mg/kg) | Advances in Teratology. Vol. 3, Pg. 181, 1968. |