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77873-76-8

Basic Information
CAS No.: 77873-76-8
Name: 3-Morpholinecarboxylic acid
Article Data: 3
Molecular Structure:
Molecular Structure of 77873-76-8 (3-Morpholinecarboxylic acid)
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
Synthetic route
77873-74-6

N-acetyl-3-cyanomorpholine

77873-76-8

morpholine-3-carboxylic acid

Conditions
ConditionsYield
acid hydrolysis;55%
Stage #1: N-acetyl-3-cyanomorpholine With sodium hydroxide at 20℃; for 3h;
Stage #2: With hydrogenchloride at 16℃; for 100h;
102154-56-3

Acetylamino-(2-chlor-aethoxymethyl)-malonsaeure-diaethylester

77873-76-8

morpholine-3-carboxylic acid

Conditions
ConditionsYield
With ammonium hydroxide Erhitzen des Reaktionsprodukts mit wss. HCl;
108595-89-7

2-bromo-3-(2-chloro-ethoxy)-propionic acid methyl ester

7664-41-7

ammonia

A

77873-76-8

morpholine-3-carboxylic acid

B

10367-17-6

O-(2-amino-ethyl)-serine

C

98069-38-6, 106863-91-6

O-(2-chloro-ethyl)-serine

108595-89-7

2-bromo-3-(2-chloro-ethoxy)-propionic acid methyl ester

ammonium hydroxide

A

77873-76-8

morpholine-3-carboxylic acid

B

10367-17-6

O-(2-amino-ethyl)-serine

C

98069-38-6, 106863-91-6

O-(2-chloro-ethyl)-serine

77873-76-8

morpholine-3-carboxylic acid

64-17-5

ethanol

84005-98-1

ethyl morpholine-3-carboxylate

Conditions
ConditionsYield
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%
77873-76-8

morpholine-3-carboxylic acid

75-36-5

acetyl chloride

84005-98-1

ethyl morpholine-3-carboxylate

Conditions
ConditionsYield
In ethanol Heating / reflux;99%
77873-76-8

morpholine-3-carboxylic acid

550346-46-8

4-nitrosomorpholine-3-carboxylic acid

Conditions
ConditionsYield
With hydrogenchloride; sodium nitrite In water at 0℃; for 1h;96%
181 mg
With hydrogenchloride; sodium nitrite at 0℃; for 1h;
77873-76-8

morpholine-3-carboxylic acid

24424-99-5

di-tert-butyl dicarbonate

212650-43-6

4-(tert-butoxycarbonyl)morpholine-3-carboxylic acid

Conditions
ConditionsYield
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
77873-76-8

morpholine-3-carboxylic acid

32315-10-9

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

2-(7-fluoro-3-oxo-4-(prop-2-yn-1-yl)-3,4-dihydrospiro[benzo[b][1,4]oxazine-2,1'-cyclopropan]-6-yl)tetrahydro-1H-imidazo[5,1-c][1,4]oxazine-1,3(2H)-dione

Conditions
ConditionsYield
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%
77873-76-8

morpholine-3-carboxylic acid

5177-27-5

5-amino-2,4-dichloropyrimidine

1268474-50-5

2-chloro-6a,7,9,10-tetrahydro[1,4]oxazino[3,4-h]pteridin -6(5H)-one

Conditions
ConditionsYield
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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  • 3-Morpholinecarboxylic acid CAS NO.77873-76-8

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Specification

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