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CAS No.: | 77873-76-8 |
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Name: | 3-Morpholinecarboxylic acid |
Article Data: | 3 |
Cas Database | |
Molecular Structure: | |
|
|
Formula: | C5H9NO3 |
Molecular Weight: | 131.131 |
Synonyms: | (RS)-Morpholine-3-carboxylicacid;3-Morpholinecarboxylicacid; |
Density: | 1.239 g/cm3 |
Melting Point: | 245-250℃ |
Boiling Point: | 298.5 °C at 760 mmHg |
Flash Point: | 134.4 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 58.56000 |
LogP: | -0.61180 |
N-acetyl-3-cyanomorpholine
morpholine-3-carboxylic acid
Conditions | Yield |
---|---|
acid hydrolysis; | 55% |
Stage #1: N-acetyl-3-cyanomorpholine With sodium hydroxide at 20℃; for 3h; Stage #2: With hydrogenchloride at 16℃; for 100h; |
Acetylamino-(2-chlor-aethoxymethyl)-malonsaeure-diaethylester
morpholine-3-carboxylic acid
Conditions | Yield |
---|---|
With ammonium hydroxide Erhitzen des Reaktionsprodukts mit wss. HCl; |
2-bromo-3-(2-chloro-ethoxy)-propionic acid methyl ester
ammonia
A
morpholine-3-carboxylic acid
B
O-(2-amino-ethyl)-serine
C
O-(2-chloro-ethyl)-serine
2-bromo-3-(2-chloro-ethoxy)-propionic acid methyl ester
A
morpholine-3-carboxylic acid
B
O-(2-amino-ethyl)-serine
C
O-(2-chloro-ethyl)-serine
Conditions | Yield |
---|---|
With acetyl chloride at 0℃; Heating / reflux; | 99% |
Stage #1: morpholine-3-carboxylic acid; ethanol With acetyl chloride at 0℃; Heating / reflux; Stage #2: With sodium hydrogencarbonate In dichloromethane; water | 99% |
With acetyl chloride at 0℃; Heating / reflux; | 99% |
With acetyl chloride at 0℃; Heating / reflux; | 99% |
morpholine-3-carboxylic acid
acetyl chloride
ethyl morpholine-3-carboxylate
Conditions | Yield |
---|---|
In ethanol Heating / reflux; | 99% |
morpholine-3-carboxylic acid
4-nitrosomorpholine-3-carboxylic acid
Conditions | Yield |
---|---|
With hydrogenchloride; sodium nitrite In water at 0℃; for 1h; | 96% |
181 mg | |
With hydrogenchloride; sodium nitrite at 0℃; for 1h; |
morpholine-3-carboxylic acid
di-tert-butyl dicarbonate
4-(tert-butoxycarbonyl)morpholine-3-carboxylic acid
Conditions | Yield |
---|---|
Stage #1: morpholine-3-carboxylic acid; di-tert-butyl dicarbonate With potassium carbonate In water; acetone at 0 - 20℃; for 24h; Stage #2: With hydrogenchloride In water | 84% |
With potassium carbonate In water; acetone at 0 - 20℃; | 34% |
With sodium hydroxide In 1,4-dioxane; water |
morpholine-3-carboxylic acid
bis(trichloromethyl) carbonate
Conditions | Yield |
---|---|
Stage #1: bis(trichloromethyl) carbonate; 6-amino-7-fluoro-4-(prop-2-yn-1-yl)spiro[benzo[b][1,4]oxazine-2,1'-cyclopropan]-3(4H)-one With triethylamine In tetrahydrofuran at 20℃; for 2h; Stage #2: morpholine-3-carboxylic acid With triethylamine In dichloromethane at 20℃; for 18h; Stage #3: With hydrogenchloride In 1,4-dioxane at 70℃; for 3h; | 80% |
morpholine-3-carboxylic acid
5-amino-2,4-dichloropyrimidine
2-chloro-6a,7,9,10-tetrahydro[1,4]oxazino[3,4-h]pteridin -6(5H)-one
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine In dimethyl sulfoxide at 100℃; | 70.3% |
With N-ethyl-N,N-diisopropylamine In dimethyl sulfoxide at 100℃; | 70.3% |
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The 3-Morpholinecarboxylic acid with the cas number 77873-76-8 is also called (RS)-Morpholine-3-carboxylicacid. Both the systematic name and IUPAC name are morpholine-3-carboxylic acid. Its molecular formula is C5H9NO3. This chemical belongs to the following product categories: (1)carboxylicacid; (2)pharmacetical.
The properties of the chemical are: (1)ACD/LogP: -1.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.87; (4)ACD/LogD (pH 7.4): -3.88; (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: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.77Å2; (13)Index of Refraction: 1.469; (14)Molar Refractivity: 29.5 cm3; (15)Molar Volume: 105.7 cm3; (16)Polarizability: 11.69×10-24cm3; (17)Surface Tension: 42 dyne/cm; (18)Enthalpy of Vaporization: 59.23 kJ/mol; (19)Vapour Pressure: 0.0003 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C1NCCOC1
(2)InChI: InChI=1/C5H9NO3/c7-5(8)4-3-9-2-1-6-4/h4,6H,1-3H2,(H,7,8)
(3)InChIKey: JUNOWSHJELIDQP-UHFFFAOYAU