1-cyano-2,2-bis(methoxy)ethylene
3-amino-5-methoxyisoxazole
Conditions | Yield |
---|---|
With sodium hydroxide; hydroxylamine hydrochloride In methanol at 45 - 60℃; for 7h; | 75% |
With sodium hydroxide; hydroxylamine hydrochloride In methanol; water | 70.6% |
orthoformic acid triethyl ester
3-amino-5-methoxyisoxazole
Conditions | Yield |
---|---|
With sodium azide In neat (no solvent) at 90℃; for 0.666667h; Reagent/catalyst; Green chemistry; | 91% |
3-amino-5-methoxyisoxazole
Conditions | Yield |
---|---|
With potassium hydrogencarbonate In methanol for 8h; Reflux; | 88% |
potassium thioacyanate
methyl chloroformate
3-amino-5-methoxyisoxazole
(5-methoxycarbonylamino-[1,2,4]thiadiazol-3-yl)-acetic acid methyl ester
Conditions | Yield |
---|---|
In acetonitrile 1.) 70 deg C, 30 min; 2.) 5 deg C, 10 min then 20 deg C, 15 min; | 86% |
1.) MeCN, 70 deg C, 30 min, 2.) MeCN, a) 5 deg C, 10 min, b) RT, 15 min; Yield given. Multistep reaction; |
potassium thioacyanate
chloroformic acid ethyl ester
3-amino-5-methoxyisoxazole
methyl 2-(5-ethoxycarbonylamino-1,2,4-thiadiazol-3-yl)acetate
Conditions | Yield |
---|---|
In acetonitrile 1.) 70 deg C, 30 min; 2.) 5 deg C, 10 min then 20 deg C, 15 min; | 83% |
1.) MeCN, 70 deg C, 30 min, 2.) MeCN, a) 5 deg C, 10 min, b) RT, 15 min; Yield given. Multistep reaction; |
methyl chloroformate
3-amino-5-methoxyisoxazole
(5-methoxycarbonylamino-[1,2,4]thiadiazol-3-yl)-acetic acid methyl ester
Conditions | Yield |
---|---|
In acetonitrile | 80.6% |
chloroformic acid ethyl ester
3-amino-5-methoxyisoxazole
methyl 2-(5-ethoxycarbonylamino-1,2,4-thiadiazol-3-yl)acetate
Conditions | Yield |
---|---|
In acetonitrile | 78.9% |
potassium thioacyanate
phenyl chloroformate
3-amino-5-methoxyisoxazole
methyl 2-(5-phenoxycarbonylamino-1,2,4-thiadiazol-3-yl)acetate
Conditions | Yield |
---|---|
In acetonitrile 1.) 70 deg C, 30 min; 2.) 5 deg C, 10 min then 20 deg C, 15 min; | 60% |
1.) MeCN, 70 deg C, 30 min, 2.) MeCN, a) 5 deg C, 10 min, b) RT, 15 min; Yield given. Multistep reaction; |
Benzoyl isothiocyanate
3-amino-5-methoxyisoxazole
Conditions | Yield |
---|---|
In tetrahydrofuran; ethanol | 57.7% |
phenyl chloroformate
3-amino-5-methoxyisoxazole
methyl 2-(5-phenoxycarbonylamino-1,2,4-thiadiazol-3-yl)acetate
Conditions | Yield |
---|---|
In acetonitrile | 57.4% |
potassium thioacyanate
benzyl chloroformate
3-amino-5-methoxyisoxazole
methyl 2-(5-benzyloxycarbonylamino-1,2,4-thiadiazol-3-yl)acetate
Conditions | Yield |
---|---|
In acetonitrile 1.) 70 deg C, 30 min; 2.) 5 deg C, 10 min then 20 deg C, 15 min; | 40% |
1.) MeCN, 70 deg C, 30 min, 2.) MeCN, a) 5 deg C, 10 min, b) RT, 15 min; Yield given. Multistep reaction; |
benzyl chloroformate
3-amino-5-methoxyisoxazole
methyl 2-(5-benzyloxycarbonylamino-1,2,4-thiadiazol-3-yl)acetate
Conditions | Yield |
---|---|
In acetonitrile | 24.9% |
phosgene
3-amino-5-methoxyisoxazole
Conditions | Yield |
---|---|
With pyridine In dichloromethane; toluene at 20℃; |
methyl chloroformate
3-amino-5-methoxyisoxazole
Conditions | Yield |
---|---|
In tetrahydrofuran; water |
The IUPAC name of 3-Amino-5-methoxyisoxazole is 5-methoxy-1,2-oxazol-3-amine. With the CAS registry number 32326-25-3, it is also named as 3-Isoxazolamine,5-methoxy-. In addition, its molecular formula is C4H6N2O2 and its molecular weight is 114.10.
The other characteristics of 3-Amino-5-methoxyisoxazole can be summarized as: (1)ACD/LogP: -1.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.3; (4)ACD/LogD (pH 7.4): -1.3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.65; (8)ACD/KOC (pH 7.4): 4.65; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.5 Å2; (13)Index of Refraction: 1.512; (14)Molar Refractivity: 27.55 cm3; (15)Molar Volume: 91.7 cm3; (16)Polarizability: 10.92×10-24cm3; (17)Surface Tension: 45.2 dyne/cm; (18)Density: 1.243 g/cm3; (19)Flash Point: 124.5 °C; (20)Enthalpy of Vaporization: 52.11 kJ/mol; (21)Boiling Point: 282.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0034 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: COc1cc(N)no1
(2)InChI: InChI=1/C4H6N2O2/c1-7-4-2-3(5)6-8-4/h2H,1H3,(H2,5,6)
(3)InChIKey: PVDLBNRYTGXVPC-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C4H6N2O2/c1-7-4-2-3(5)6-8-4/h2H,1H3,(H2,5,6)
(5)Std. InChIKey: PVDLBNRYTGXVPC-UHFFFAOYSA-N
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