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Cas Database |
| Name |
Methyl 2-azetidinecarboxylate |
EINECS | N/A |
| CAS No. | 134419-57-1 | Density | 1.1 g/cm3 |
| PSA | 38.33000 | LogP | -0.14990 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C5H9NO2 | Boiling Point | 144.666 °C at 760 mmHg |
| Molecular Weight | 115.132 | Flash Point | 41.293 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Methyl2-azetidinecarboxylate; |
Article Data | 5 |
Methyl 2-azetidinecarboxylate Synthetic route
| Conditions | Yield |
|---|---|
| With thionyl chloride for 24h; Ambient temperature; | |
| With thionyl chloride for 1h; Heating; |
- 18085-37-5
methyl 1-benzyl-2-azetidinecarboxylate
- 134419-57-1
(2S)-methyl azetidine-2-carboxylate
| Conditions | Yield |
|---|---|
| With ammonium formate; palladium on activated charcoal In methanol for 0.75h; Heating; |
- 134419-57-1
(2S)-methyl azetidine-2-carboxylate
- 501-53-1
benzyl chloroformate
- 7087-68-5
N-ethyl-N,N-diisopropylamine
| Conditions | Yield |
|---|---|
| In dichloromethane | 80% |
- 134419-57-1
(2S)-methyl azetidine-2-carboxylate
- 13551-90-1
2-nitro-1-(2-oxiranylmethyl)-1H-imidazole
- 134419-52-6
1-[2-Hydroxy-3-(2-nitro-imidazol-1-yl)-propyl]-azetidine-2-carboxylic acid methyl ester
| Conditions | Yield |
|---|---|
| In methanol for 3h; Heating; | 16% |
- 3282-30-2
pivaloyl chloride
- 134419-57-1
(2S)-methyl azetidine-2-carboxylate
- 145642-59-7
Methyl N-Pivaloylazetidine-2-carboxylate
| Conditions | Yield |
|---|---|
| With pyridine In dichloromethane for 20h; Ambient temperature; Yield given; |
- 134419-57-1
(2S)-methyl azetidine-2-carboxylate
- 7154-66-7
2-bromobenzoic acid chloride
- 182343-74-4
1-(2-Bromo-benzoyl)-azetidine-2-carboxylic acid methyl ester
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane Ambient temperature; Yield given; |
- 59813-11-5
2-bromoethyl diazomethyl ketone
- 134419-57-1
(2S)-methyl azetidine-2-carboxylate
- 860775-87-7
methyl 1-(3'-oxo-4'-diazo)butylaziridine-2-carboxylate
| Conditions | Yield |
|---|---|
| With N-ethyl-N,N-diisopropylamine In acetonitrile at 20℃; for 16h; | 0.264 g |
- 134419-57-1
(2S)-methyl azetidine-2-carboxylate
- 25471-73-2, 113890-49-6, 113890-50-9
(1S,7aR)-7-Oxo-hexahydro-pyrrolizine-1-carboxylic acid methyl ester
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 0.264 g / iPr2NEt / acetonitrile / 16 h / 20 °C 2: Cu(acac)2 / toluene / 85 °C View Scheme |
- 134419-57-1
(2S)-methyl azetidine-2-carboxylate
- 25471-73-2, 113890-49-6, 113890-50-9
(5α)-1-aza-4α-carbomethoxy-6-oxobicyclo<3.3.0>octane
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 0.264 g / iPr2NEt / acetonitrile / 16 h / 20 °C 2: Cu(acac)2 / toluene / 85 °C View Scheme |
- 134419-57-1
(2S)-methyl azetidine-2-carboxylate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: Et3N / CH2Cl2 / Ambient temperature 2: 51 percent / (TMS)2NLi / tetrahydrofuran; hexane / 1.) -78 deg C, 15 min, 2.) r.t., 5 h 3: 63 percent / Bu3SnH, AIBN / toluene / 2 h / Heating View Scheme |
Methyl 2-azetidinecarboxylate Specification
The 2-Azetidinecarboxylicacid, methyl ester is an organic compound with the formula C5H9NO2. The systematic name of this chemical is methyl azetidine-2-carboxylate. With the CAS registry number 134419-57-1, it is also named as Azetidine-2-carboxylic acid methyl ester. The product's category is Pharmacetical.
Physical properties about 2-Azetidinecarboxylicacid, methyl ester are: (1)ACD/LogP: -0.66; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 38.33 Å2; (10)Index of Refraction: 1.45; (11)Molar Refractivity: 28.134 cm3; (12)Molar Volume: 104.623 cm3; (13)Polarizability: 11.153×10-24cm3; (14)Surface Tension: 33.84 dyne/cm; (15)Density: 1.1 g/cm3; (16)Flash Point: 41.293 °C; (17)Enthalpy of Vaporization: 38.174 kJ/mol; (18)Boiling Point: 144.666 °C at 760 mmHg; (19)Vapour Pressure: 5.038 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)C1CCN1
(2)InChI: InChI=1/C5H9NO2/c1-8-5(7)4-2-3-6-4/h4,6H,2-3H2,1H3
(3)InChIKey: CHNOQXRIMCFHKZ-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C5H9NO2/c1-8-5(7)4-2-3-6-4/h4,6H,2-3H2,1H3
(5)Std. InChIKey: CHNOQXRIMCFHKZ-UHFFFAOYSA-N
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