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Home Carboxys t-Butyl 1H-pyrrole-1-carboxylate

t-Butyl 1H-pyrrole-1-carboxylate

CAS No.:
5176-27-2
Catalog Number:
AG0032I6
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$13
- +
5g
97%
In Stock USA
United States
$19
- +
25g
97%
In Stock USA
United States
$63
- +
100g
97%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG0032I6
Chemical Name:
t-Butyl 1H-pyrrole-1-carboxylate
CAS Number:
5176-27-2
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
MDL Number:
MFCD00209559
IUPAC Name:
tert-butyl pyrrole-1-carboxylate
InChI:
InChI=1S/C9H13NO2/c1-9(2,3)12-8(11)10-6-4-5-7-10/h4-7H,1-3H3
InChI Key:
IZPYBIJFRFWRPR-UHFFFAOYSA-N
SMILES:
O=C(n1cccc1)OC(C)(C)C
Properties
Complexity:
166  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.095g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.208g/mol
Monoisotopic Mass:
167.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
Ethynyl-linked (pyreno)pyrrole-naphthyridine and aniline-naphthyridine molecules as fluorescent sensors of guanine via multiple hydrogen bondings. The Journal of organic chemistry 20070105
Synthesis and radiosynthesis of [(18)F]FPhEP, a novel alpha(4)beta(2)-selective, epibatidine-based antagonist for PET imaging of nicotinic acetylcholine receptors. Bioorganic & medicinal chemistry 20060601
A noncarbohydrate based approach to polyhydroxylated pyrrolidizines: total syntheses of the natural products hyacinthacine A1 and 1-epiaustraline. The Journal of organic chemistry 20050902
Synthesis of d- and l-2,3-trans-3,4-cis-4,5-trans-3,4-dihydroxy-5-hydroxymethylproline and tripeptides containing them. The Journal of organic chemistry 20040625
Enantiopure oxazolidinones as chiral acids in the asymmetric protonation of N-Boc pyrrole derived enolates. Chemical communications (Cambridge, England) 20040321
Properties