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CAS No.: | 134419-57-1 |
---|---|
Name: | 2-Azetidinecarboxylicacid, methyl ester |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C5H9NO2 |
Molecular Weight: | 115.132 |
Synonyms: | Methyl2-azetidinecarboxylate; |
Density: | 1.1 g/cm3 |
Boiling Point: | 144.666 °C at 760 mmHg |
Flash Point: | 41.293 °C |
PSA: | 38.33000 |
LogP: | -0.14990 |
Conditions | Yield |
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With thionyl chloride for 24h; Ambient temperature; | |
With thionyl chloride for 1h; Heating; |
methyl 1-benzyl-2-azetidinecarboxylate
(2S)-methyl azetidine-2-carboxylate
Conditions | Yield |
---|---|
With ammonium formate; palladium on activated charcoal In methanol for 0.75h; Heating; |
(2S)-methyl azetidine-2-carboxylate
benzyl chloroformate
N-ethyl-N,N-diisopropylamine
Conditions | Yield |
---|---|
In dichloromethane | 80% |
(2S)-methyl azetidine-2-carboxylate
2-nitro-1-(2-oxiranylmethyl)-1H-imidazole
1-[2-Hydroxy-3-(2-nitro-imidazol-1-yl)-propyl]-azetidine-2-carboxylic acid methyl ester
Conditions | Yield |
---|---|
In methanol for 3h; Heating; | 16% |
pivaloyl chloride
(2S)-methyl azetidine-2-carboxylate
Methyl N-Pivaloylazetidine-2-carboxylate
Conditions | Yield |
---|---|
With pyridine In dichloromethane for 20h; Ambient temperature; Yield given; |
(2S)-methyl azetidine-2-carboxylate
2-bromobenzoic acid chloride
1-(2-Bromo-benzoyl)-azetidine-2-carboxylic acid methyl ester
Conditions | Yield |
---|---|
With triethylamine In dichloromethane Ambient temperature; Yield given; |
2-bromoethyl diazomethyl ketone
(2S)-methyl azetidine-2-carboxylate
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 |
(2S)-methyl azetidine-2-carboxylate
(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 |
(2S)-methyl azetidine-2-carboxylate
(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 |
(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 |
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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