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CAS No.: | 73286-70-1 |
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Name: | N-Boc-pyrroline |
Article Data: | 81 |
Molecular Structure: | |
Formula: | C9H15NO2 |
Molecular Weight: | 169.224 |
Synonyms: | 1-(tert-Butoxycarbonyl)-3-pyrroline;1-t-Butoxycarbonyl-3-pyrroline;1-tert-Butoxycarbonylpyrroline;1-tert-Butyloxycarbonyl-3-pyrroline;2,5-Dihydro-1H-pyrrole-1-carboxylic acid1,1-dimethylethyl ester;2,5-Dihydro-1H-pyrrole-1-carboxylic acid tert-butyl ester;2,5-Dihydropyrrole-1-carboxylic acid tert-butyl ester;N-Boc-2,5-dihydropyrrole;tert-Butyl3-pyrroline-1-carboxylate; |
Density: | 1.056 g/cm3 |
Melting Point: | 40.0 to 44.0 °C |
Boiling Point: | 219.889 °C at 760 mmHg |
Flash Point: | 86.786 °C |
Solubility: | Slightly soluble in water. |
Appearance: | White to yellow low melting solid or liquid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26 |
PSA: | 29.54000 |
LogP: | 1.73120 |
Conditions | Yield |
---|---|
In tetrahydrofuran; water at 0 - 20℃; for 3.16667h; | 100% |
In dichloromethane at 0 - 20℃; Inert atmosphere; | 100% |
In dichloromethane at 0 - 20℃; for 18.58h; Inert atmosphere; | 100% |
tert-butyl diallylcarbamate
N-(tert-butoxycarbonyl)-3-pyrroline
Conditions | Yield |
---|---|
With Hoveyda-Grubbs catalyst second generation In toluene at 50℃; for 8h; Glove box; | 99% |
With Grubbs catalyst first generation In dichloromethane for 2h; Inert atmosphere; Reflux; | 99% |
[RuCl2(=CHCH3)(PCy3)2] In dichloromethane at 20℃; for 15h; | 98% |
3-Pyrroline
N-(tert-butyloxycarbonyl) azide
N-(tert-butoxycarbonyl)-3-pyrroline
Conditions | Yield |
---|---|
With triethylamine In 1,4-dioxane; water at 50℃; for 15h; | 87.5% |
3-Pyrroline
di-tert-butyl dicarbonate
A
N-(tert-butoxycarbonyl)-3-pyrroline
B
tert-butyl pyrrolidine-1-carboxylate
Conditions | Yield |
---|---|
With pyrrolidine; sodium hydrogencarbonate In tetrahydrofuran; water at 20℃; for 24h; | A 87% B n/a |
In ethyl acetate at 0 - 20℃; | A 63% B 37% |
In ethyl acetate at 0 - 10℃; |
di-tert-butyl dicarbonate
2,5-dihydro-1H-pyrrole hydrochloride
N-(tert-butoxycarbonyl)-3-pyrroline
Conditions | Yield |
---|---|
With triethylamine In methanol at 0 - 20℃; | 85% |
Conditions | Yield |
---|---|
With cesium fluoride In N,N-dimethyl-formamide at 110℃; | 80% |
tert-butyl di(but-3-en-1-yl)carbamate
N-(tert-butoxycarbonyl)-3-pyrroline
Conditions | Yield |
---|---|
With Grubbs catalyst first generation In dichloromethane at 20℃; for 17h; | 73% |
Z-1,4-dichlorobutene
tert-butyl carbamate
N-(tert-butoxycarbonyl)-3-pyrroline
Conditions | Yield |
---|---|
With sodium hydride In N,N-dimethyl-formamide at 20 - 50℃; for 5.66667h; | 60% |
With sodium hydride In N,N-dimethyl-formamide | 57% |
Stage #1: tert-butyl carbazate With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0℃; for 1.25h; Stage #2: Z-1,4-dichlorobutene In N,N-dimethyl-formamide; mineral oil at 80℃; for 5h; |
tert-butyl thiomorpholine-4-carboxylic acid-1,1-dioxide
N-(tert-butoxycarbonyl)-3-pyrroline
Conditions | Yield |
---|---|
With 1,2-dibromo-1,1,2,2-tetrachloroethane; alumina-supported potassium hydroxide In tetrahydrofuran; tert-butyl alcohol at 20℃; for 4h; Ramberg-Baecklund Rearrangement; | 52% |
Z-1,4-dichlorobutene
N-(tert-butoxycarbonyl)-3-pyrroline
Conditions | Yield |
---|---|
Stage #1: tert-butyl carbazate With sodium hydride In N,N-dimethyl-formamide at 0℃; for 0.166667h; Stage #2: Z-1,4-dichlorobutene In N,N-dimethyl-formamide at 20 - 65℃; for 20.25h; | 51% |
Molecule structure of N-Boc-3-pyrroline (CAS NO.73286-70-1):
IUPAC Name: tert-Butyl 2,5-dihydropyrrole-1-carboxylate
Molecular Weight: 169.2209 g/mol
Molecular Formula: C9H15NO2
Density: 1.055 g/cm3
Boiling Point: 219.9 °C at 760 mmHg
Flash Point: 86.8 °C
Index of Refraction: 1.491
Molar Refractivity: 46.43 cm3
Molar Volume: 160.2 cm3
Polarizability: 18.4×10-24 cm3
Surface Tension: 37.5 dyne/cm
Enthalpy of Vaporization: 45.63 kJ/mol
Vapour Pressure: 0.116 mmHg at 25 °C
XLogP3-AA: 1.3
H-Bond Acceptor: 2
Rotatable Bond Count: 2
Exact Mass: 169.110279
MonoIsotopic Mass: 169.110279
Topological Polar Surface Area: 29.5
Heavy Atom Count: 12
Complexity: 195
Canonical SMILES: CC(C)(C)OC(=O)N1CC=CC1
InChI: InChI=1S/C9H15NO2/c1-9(2,3)12-8(11)10-6-4-5-7-10/h4-5H,6-7H2,1-3H3
InChIKey: YEBDZDMYLQHGGZ-UHFFFAOYSA-N
Product Categories: Pyrrolidine series; Pyrroles & Indoles; Pyrroles & Indoles
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 3
N-Boc-3-pyrroline (CAS NO.73286-70-1) is also named as 1H-pyrrole-1-carboxylic acid, 2,5-dihydro-, 1,1-dimethylethyl ester ; 2,5-Dihydro-pyrrole-1-carboxylic acid tert-butyl ester ; 2-Methyl-2-propanyl 2,5-dihydro-1H-pyrrole-1-carboxylate ; tert-Butyl 2,5-dihydro-1H-pyrrole-1-carboxylate ; tert-Butyl-2,5-dihydro-1H-pyrrol-1-carboxylat ; 2,5-Dihydro-1H-pyrrole, N-BOC protected ; 3-Pyrroline, N-BOC protected . N-Boc-3-pyrroline (CAS NO.73286-70-1) is white to yellow low melting solid or liquid.