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CAS No.: | 6981-18-6 |
---|---|
Name: | 5-(4,5-dimethoxy-2-methylbenzyl)-2,4-diaminopyrimidine |
Article Data: | 23 |
Molecular Structure: | |
Formula: | C14H18N4O2 |
Molecular Weight: | 274.323 |
Synonyms: | Pyrimidine,2,4-diamino-5-(6-methylveratryl)- (7CI,8CI);2,4-Diamino-5-(2-methyl-4,5-dimethoxybenzyl)pyrimidine;2,4-Diamino-5-(2'-methyl-4',5'-dimethoxybenzyl)pyrimidine;2,4-Diamino-5-(3,4-dimethoxy-6-methylbenzyl)pyrimidine;2,4-Diamino-5-(4,5-dimethoxy-2-methylbenzyl)pyrimidine;2,4-Diamino-5-(4',5'-dimethoxy-2'-methylbenzyl)pyrimidine;NSC 95072;Ormethoprim;Ormetoprim;Ro 5-9754; |
EINECS: | 230-246-6 |
Density: | 1.223 g/cm3 |
Melting Point: | 231.0 to 235.0 °C |
Boiling Point: | 521.5 °C at 760 mmHg |
Flash Point: | 269.2 °C |
Safety: | 24/25 |
PSA: | 96.28000 |
LogP: | 2.71980 |
Conditions | Yield |
---|---|
Stage #1: C14H17NO3 With sodium methylate In N,N-dimethyl-formamide at 110℃; Stage #2: guanidine carbonate In N,N-dimethyl-formamide at 130℃; Temperature; | 90% |
1,2-dimethoxy-4-methylbenzene
2,4-diamino-5-methoxymethylpyrimidine
ormetoprim
Conditions | Yield |
---|---|
With hydrogenchloride In methanol for 7.5h; Ambient temperature; | 62% |
With potassium hydroxide; phosphoric acid In water | 104 % |
2-(methoxymethylene)-3-methoxypropanenitrile
1,2-dimethoxy-4-methylbenzene
guanidine hydrochloride
ormetoprim
Conditions | Yield |
---|---|
Yield given. Multistep reaction; |
4,5-dimethoxy-2-methyl-2'-(methoxymethyl)cinnamonitrile
sodium methylate
diguanidine carbonate
ormetoprim
Conditions | Yield |
---|---|
1) DMSO, MeOH, 85 deg C, 3.5 h, 2) DMSO, a) 125 deg C, 1.25 h, b) 115 deg C, 1.5; Yield given. Multistep reaction; |
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 2: 85.6 percent / methanol / 18 h / Ambient temperature 3: 1) DMSO, MeOH, 85 deg C, 3.5 h, 2) DMSO, a) 125 deg C, 1.25 h, b) 115 deg C, 1.5 View Scheme | |
Multi-step reaction with 3 steps 1.1: trichlorophosphate / 0.5 h / Cooling with ice 1.2: 90 °C 2.1: methanol / 50 °C 3.1: sodium methylate / N,N-dimethyl-formamide / 110 °C 3.2: 130 °C View Scheme | |
Multi-step reaction with 4 steps 1: acetic acid; hydrogenchloride / water / 8 h / 100 °C 2: trichlorophosphate / 4 h / 120 °C 3: N,N-dimethyl-formamide / 12 h / 190 - 200 °C 4: hydrazine hydrate / methanol / 3.5 h / Reflux View Scheme |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 85.6 percent / methanol / 18 h / Ambient temperature 2: 1) DMSO, MeOH, 85 deg C, 3.5 h, 2) DMSO, a) 125 deg C, 1.25 h, b) 115 deg C, 1.5 View Scheme |
2-bromo-4-methylanisole
ormetoprim
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: CuCl / dimethylformamide; methanol / 4.5 h / Heating View Scheme | |
Multi-step reaction with 2 steps 1: CuCl / dimethylformamide; methanol / 4.5 h / Heating 2: 62 percent / conc. HCl / methanol / 7.5 h / Ambient temperature View Scheme | |
Multi-step reaction with 4 steps 1: CuCl / dimethylformamide; methanol / 4.5 h / Heating 3: 85.6 percent / methanol / 18 h / Ambient temperature 4: 1) DMSO, MeOH, 85 deg C, 3.5 h, 2) DMSO, a) 125 deg C, 1.25 h, b) 115 deg C, 1.5 View Scheme | |
Multi-step reaction with 4 steps 1.1: copper(l) chloride / methanol / Reflux 2.1: trichlorophosphate / 0.5 h / Cooling with ice 2.2: 90 °C 3.1: methanol / 50 °C 4.1: sodium methylate / N,N-dimethyl-formamide / 110 °C 4.2: 130 °C View Scheme |
chloroform
2-(methoxymethylene)-3-methoxypropanenitrile
1,2-dimethoxy-4-methylbenzene
guanidine hydrochloride
ormetoprim
Conditions | Yield |
---|---|
With trifluoroborane diethyl ether In N-methyl-acetamide; methanol; (2S)-N-methyl-1-phenylpropan-2-amine hydrate; ethyl acetate |
guanidine carbonate
4,5-dimethoxy-2-methyl-2'-(methoxymethyl)cinnamonitrile
ormetoprim
Conditions | Yield |
---|---|
With sodium methylate In dimethyl sulfoxide at 85 - 125℃; for 6.5h; |
ormetoprim
Conditions | Yield |
---|---|
With triethylsilane; trifluoroacetic acid In dichloromethane |
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Molecular Structure of 2,4-Diamino-5-(6-methylveratryl)pyrimidine (CAS NO.6981-18-6):
IUPAC Name: 5-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrimidine-2,4-diamine
Empirical Formula: C14H18N4O2
Molecular Weight: 274.3183
H bond acceptors: 6
H bond donors: 4
Freely Rotating Bonds: 4
Polar Surface Area: 50.72Å2
Index of Refraction: 1.616
Molar Refractivity: 78.4 cm3
Molar Volume: 224.1 cm3
Surface Tension: 54.6 dyne/cm
Density: 1.223 g/cm3
Flash Point: 269.2 °C
Enthalpy of Vaporization: 79.47 kJ/mol
Boiling Point: 521.5 °C at 760 mmHg
Vapour Pressure: 5.66E-11 mmHg at 25°C
EINECS: 230-246-6
Storage temp: 0-6°C
Product Categories: Active Pharmaceutical Ingredients
InChI
InChI=1/C14H18N4O2/c1-8-4-11(19-2)12(20-3)6-9(8)5-10-7-17-14(16)18-13(10)15/h4,6-7H,5H2,1-3H3,(H4,15,16,17,18)
Smiles
c1(Cc2c(nc(N)nc2)N)cc(c(OC)cc1C)OC
2,4-Diamino-5-(6-methylveratryl)pyrimidine , with CAS number of 6981-18-6, can be called Pyrimidine,2,4-diamino-5-(6-methylveratryl)- (7CI,8CI) ; 2,4-Diamino-5-(2-methyl-4,5-dimethoxybenzyl)pyrimidine ; 2,4-Diamino-5-(3,4-dimethoxy-6-methylbenzyl)pyrimidine ; Ormethoprim .