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ChemicalBook--->CAS DataBase List--->5176-27-2

5176-27-2

5176-27-2 Structure

5176-27-2 Structure
IdentificationBack Directory
[Name]

N-T-BOC-PYRROLE
[CAS]

5176-27-2
[Synonyms]

e-1-CarboxyL
ate(WX690266)
N-Boc-Pyrrole
1-Boc-pyrrole
N-T-BOC-PYRROLE
N-BOC-1H-PYRROLE
N-T-BOC-PYRROLE-1
N-Boc-pyrrole 98%
N-Boc-pyrrole
N-(t-Butoxycarbonyl)pyrrole
tert-butyl-pyrrole-carboxylate
TERT-BUTYL PYRROL-1-CARBOXYLATE
TERT-BUTYL 1-PYRROLECARBOXYLATE
tert-Butylpyrrole-1-carboxylate
N-tert-Butoxycarbonyl-1H-pyrrol
t-Butyl 1H-pyrrole-1-carboxylate
N-tert-Butoxycarbonyl-1H-pyrrole
N-(tert-butyloxycarbonyl)pyrrole
N-Boc-pyrrole, 97%, for synthesis
tert-butyl-pyrrole-carboxylate,98%
tert-butyl 1H-pyrrole-1-carboxylate
1-pyrrolecarboxylic acid tert-butyl ester
Pyrrole-1-carboxylic Acid tert-Butyl Ester
Tert-Butyl 1H-Pyrrole-1-Carboxylate(WX690266)
N-Boc-pyrrole,tert-Butyl 1-pyrrolecarboxylate
1H-Pyrrole-1-carboxylic acid, 1,1-diMethylethyl ester
[Molecular Formula]

C9H13NO2
[MDL Number]

MFCD00209559
[MOL File]

5176-27-2.mol
[Molecular Weight]

167.21
Chemical PropertiesBack Directory
[Boiling point ]

91-92 °C20 mm Hg(lit.)
[density ]

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

n20/D 1.4685(lit.)
[Fp ]

167 °F
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Acetonitrile, Dichloromethane, Ethyl Acetate, Methanol, Tetrahydrofuran
[form ]

Solution
[pka]

-6.10±0.70(Predicted)
[color ]

Colorless to yellow
[InChIKey]

IZPYBIJFRFWRPR-UHFFFAOYSA-N
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26
[WGK Germany ]

3
[HS Code ]

2933998090
Hazard InformationBack Directory
[Chemical Properties]

Colorless liquid
[Uses]

N-Boc-pyrrole was used in the synthesis of 1-(tert-butoxycarbonyl)-1H-pyrrol-2-ylboronic acid by treating with n-BuLi and subsequent reaction with trimethyl borate.
It may be used as starting material in the synthesis of the following:
  • tropane drivatives
  • N-boc-2-(4-methoxyphenyl)pyrrole
  • N-boc-pyrrol-2-ylboronic acid
[Uses]

Pyrrole-1-carboxylic Acid tert-Butyl Ester is an intermediate in the synthesis of pyrrole derived anti-cancer Agent.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 31, p. 764, 1966 DOI: 10.1021/jo01341a027
[General Description]

N-Boc-pyrrole is an N-protected pyrrole. It undergoes Diels–Alder reaction with enantiomerically pure allene-1,3-dicarboxylates to form endo-adducts with retention in configurations at two newly generated stereogenic centers. It also undergoes cyclopropanation with methyl phenyldiazoacetate to form both monocyclopropane and dicyclopropane. Its Ir-catalyzed C-H borylation followed by cross coupling with 3-chlorothiophene to form biheterocycle has been reported.
Spectrum DetailBack Directory
[Spectrum Detail]

N-T-BOC-PYRROLE(5176-27-2)FT-IR
N-T-BOC-PYRROLE(5176-27-2)IR
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