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CAS No.: | 36476-78-5 |
---|---|
Name: | 3-Azetidinecarboxylic acid |
Article Data: | 15 |
Molecular Structure: | |
Formula: | C4H7NO2 |
Molecular Weight: | 101.105 |
Synonyms: | 3-Carboxyazetidine;Azetidine-3-carboxylic acid; |
EINECS: | 674-976-7 |
Density: | 1.275 g/cm3 |
Melting Point: | 286 °C (dec.)(lit.) |
Boiling Point: | 242 °C at 760 mmHg |
Flash Point: | 100.1 °C |
Solubility: | Soluble in water. |
Appearance: | light yellow powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 24/25-22-36-26 |
PSA: | 49.33000 |
LogP: | -0.38080 |
N-benzyl azetidine-3-carboxylic acid
3-azetidinecarboxylic acid
Conditions | Yield |
---|---|
palladium In methanol | 90% |
With hydrogen; palladium dihydroxide In methanol; water at 60℃; under 2068.59 Torr; for 16h; | 806.2 g |
palladium In methanol |
1-acetylazetidine-3-carboxylic acid
3-azetidinecarboxylic acid
Conditions | Yield |
---|---|
With palladium 10% on activated carbon; hydrogen In ethanol at 40℃; under 15001.5 Torr; for 24h; | 27.9% |
3-azetidinecarboxylic acid
Conditions | Yield |
---|---|
With formic acid In water |
N-benzyl-3,3-bis-(hydroxymethyl)-azetidine
tartaric acid
N-benzyl azetidine-3-carboxylic acid
3-azetidinecarboxylic acid
Conditions | Yield |
---|---|
With potassium hydroxide; phosphoric acid; ammonium formate; palladium on charcoal In methanol; water |
1-(t-butyloxycarbonyl)-azetidine-3-carboxylic acid
3-azetidinecarboxylic acid
Conditions | Yield |
---|---|
With palladium 10% on activated carbon; hydrogen In ethanol at 50℃; under 18751.9 Torr; for 30h; | 13.8 g |
3-azetidinecarboxylic acid
benzyl chloroformate
1-benzyloxycarbonyl-3-azetidinecarboxylic acid
Conditions | Yield |
---|---|
Stage #1: 3-azetidinecarboxylic acid; benzyl chloroformate With sodium hydroxide In water at 0℃; for 16h; Stage #2: With hydrogenchloride In water | 100% |
With potassium carbonate In water at 0 - 20℃; | 91% |
Stage #1: 3-azetidinecarboxylic acid; benzyl chloroformate With potassium carbonate In 1,4-dioxane; water at 20℃; for 6h; Stage #2: With piperazine In 1,4-dioxane; water for 0.5h; | 83% |
di-tert-butyl dicarbonate
3-azetidinecarboxylic acid
1-(t-butyloxycarbonyl)-azetidine-3-carboxylic acid
Conditions | Yield |
---|---|
With triethylamine In methanol at 20℃; for 18h; | 100% |
With triethylamine In methanol at 20℃; for 18h; | 100% |
With sodium hydroxide In tetrahydrofuran; water at 20℃; for 24h; Product distribution / selectivity; | 95% |
ethyl 6-chloro-5-cyano-2-(difluoromethyl)nicotinate
3-azetidinecarboxylic acid
1-[3-cyano-6-(difluoromethyl)-5-(ethoxycarbonyl)pyridin-2-yl]azetidine-3-carboxylic acid
Conditions | Yield |
---|---|
With triethylamine In ethanol; water at 120℃; for 0.166667h; Microwave irradiation; | 100% |
3-azetidinecarboxylic acid
trifluoroacetic anhydride
1-(trifluoroacetyl)azetidine-3-carboxylic acid
Conditions | Yield |
---|---|
at 0℃; for 3.33333h; | 100% |
at 0℃; for 2.83333h; | 100% |
methanol
3-azetidinecarboxylic acid
methyl 3-azetidinecarboxylate hydrochloride
Conditions | Yield |
---|---|
With thionyl chloride In acetonitrile at 0 - 20℃; for 2.33333h; | 100% |
With thionyl chloride at 0 - 25℃; for 2.25h; | 100% |
With thionyl chloride at 5 - 65℃; | 100% |
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IUPAC Name: azetidine-3-carboxylic acid
Empirical Formula: C4H7NO2
Molecular Weight: 101.1039g/mol
Structure of 3-Azetidinecarboxylic acid (CAS NO.36476-78-5):
Index of Refraction: 1.499
Molar Refractivity: 23.29 cm3
Molar Volume: 79.2 cm3
Polarizability: 9.23×10-24cm3
Surface Tension: 48.2 dyne/cm
Density: 1.275 g/cm3
Flash Point: 100.1 °C
Enthalpy of Vaporization: 52.75 kJ/mol
Melting Point: 286 °C (dec.)(lit.)
Boiling Point: 242 °C at 760 mmHg
Vapour Pressure: 0.0116 mmHg at 25°C
Product Categories: Pharmaceutical Raw Materials;Unusual amino acids;Heterocycles series;Miscellaneous;Carboxylic Acids;Amino Acids 13C, 2H, 15N;Azetidines;Simple 4-Membered Ring Compounds;Peptide;Amino Acids & Derivatives;Carboxylic Acids;Ring Systems;Alicyclic Amino Acids;Peptide Synthesis;Unnatural Amino Acid Derivatives;B-Amino
Canonical SMILES: C1C(CN1)C(=O)O
InChI: InChI=1S/C4H7NO2/c6-4(7)3-1-5-2-3/h3,5H,1-2H2,(H,6,7)
InChIKey: GFZWHAAOIVMHOI-UHFFFAOYSA-N
A useful intermediate in the synthesis of polypeptides.
1. | orl-rat LD50:>5 g/kg | FMCHA2 Farm Chemicals Handbook .(Meister Publishing,Willoughy, OH.: )1991,C65. | ||
2. | skn-rbt LD50:>1 g/kg | FMCHA2 Farm Chemicals Handbook .(Meister Publishing,Willoughy, OH.: )1991,C65. |
Low toxicity by ingestion and skin contact. When heated to decomposition it emits toxic vapors of NOx.
Hazard Codes: Xi
The Risk Statements information of 3-AZETIDINECARBOXYLIC ACID:
36/37/38: Irritating to eyes, respiratory system and skin
The Safety Statements information of 3-AZETIDINECARBOXYLIC ACID :
22: Do not breathe dust
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
24/25: Avoid contact with skin and eyes
WGK Germany:3
Hazard Note:Irritant
3-Azetidinecarboxylic acid , its cas register number is 36476-78-5. It also can be called 3-Carboxyazetidine ; 5-22-01-00023 (Beilstein Handbook Reference) ; Azetidine-3-carboxylic acid ; CHA-811 ; Caswell No. 063C ; EPA Pesticide Chemical Code 128830 . 3-Azetidinecarboxylic acid (CAS NO.36476-78-5) is a light yellow powder.