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31970-04-4

31970-04-4 Structure

31970-04-4 Structure
IdentificationBack Directory
[Name]

BENZYL 3-PYRROLINE-1-CARBOXYLATE 90
[CAS]

31970-04-4
[Synonyms]

N-Cbz-3-pyrroline
2,5-Dihydropyrrole-1-Cbz
N-Cbz-2,5-dihydropyrrole
N-Carbobenzoxy-3-pyrroline
1-Cbz-2,5-dihydro-1H-pyrrole
Benzyl 3-pyrroline-1-formate
N-Cbz 2,5-dihydro-1H-pyrrole
N-Carbobenzoxy-3-pyrroline >
3-pyrroline-1-benzylcarboxylate
N-(Benzyloxycarbonyl)3-pyrroline
Benzyl 3-pyrroline-1-carboxylate
benzyl 2H-pyrrole-1(5H)-carboxylate
BENZYL 3-PYRROLINE-1-CARBOXYLATE 90
benzyl 2,5-dihydropyrrole-1-carboxylate
2,5-Dihydro-1H-pyrrole, N-CBZ protected
benzyl 2,5-dihydro-1H-pyrrole-1-carboxylate
2,5-Dihydropyrrole-1-carboxylic acid benzyl ester
2,5-dihydropyrrole-1-carboxylic acid (phenylmethyl) ester
1H-Pyrrole-1-carboxylic acid, 2,5-dihydro-, phenylmethyl ester
[Molecular Formula]

C12H13NO2
[MDL Number]

MFCD01863559
[MOL File]

31970-04-4.mol
[Molecular Weight]

203.24
Chemical PropertiesBack Directory
[Boiling point ]

133-137 °C0.6 mm Hg(lit.)
[density ]

1.132 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.544(lit.)
[Fp ]

>230 °F
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[form ]

Liquid
[pka]

-1.51±0.20(Predicted)
[color ]

Colorless to pale yellow
[InChI]

InChI=1S/C12H13NO2/c14-12(13-8-4-5-9-13)15-10-11-6-2-1-3-7-11/h1-7H,8-10H2
[InChIKey]

XSKKIFJNZPNVGO-UHFFFAOYSA-N
[SMILES]

N1(C(OCC2=CC=CC=C2)=O)CC=CC1
[CAS DataBase Reference]

31970-04-4
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

3
[HS Code ]

29339900
Hazard InformationBack Directory
[Chemical Properties]

Colorless liquid
[Uses]

Benzyl 3-Pyrroline-1-carboxylate is an heterocyclic building block used in the synthesis of pharmaceutical products including inhibitors. It is used in synthesis of novel series of pyrrolotriazine, acting as a pan-Aurora kinase inhibitors.
[Synthesis]

3-Pyrroline was added to a round-bottomed flask, 10% aqueous sodium carbonate was added and stirred to dissolve, then dioxane was added, and a 10% dioxane solution of benzyl chloroformate was slowly added dropwise into the reaction solution under an ice b
Spectrum DetailBack Directory
[Spectrum Detail]

BENZYL 3-PYRROLINE-1-CARBOXYLATE 90(31970-04-4)1HNMR
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