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135884-31-0 | N-Boc-2-pyrroleboronic acid
CAS No: 135884-31-0 Catalog No: AG0038YA MDL No:MFCD01318939
Product Description
Catalog Number:
AG0038YA
Chemical Name:
N-Boc-2-pyrroleboronic acid
CAS Number:
135884-31-0
Molecular Formula:
C9H14BNO4
Molecular Weight:
211.0228
MDL Number:
MFCD01318939
IUPAC Name:
[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]boronic acid
InChI:
InChI=1S/C9H14BNO4/c1-9(2,3)15-8(12)11-6-4-5-7(11)10(13)14/h4-6,13-14H,1-3H3
InChI Key:
ZWGMJLNXIVRFRJ-UHFFFAOYSA-N
SMILES:
OB(c1cccn1C(=O)OC(C)(C)C)O
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.102g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
211.024g/mol
Monoisotopic Mass:
211.102g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| tert-Butyl 2-borono-1H-pyrrole-1-carboxyl-ate. | Acta crystallographica. Section E, Structure reports online 20090401 |
| tert-Butyl 2-(dihydroxyboryl)pyrrole-1-carboxylate. | Acta crystallographica. Section E, Structure reports online 20080601 |
| Application of a 6pi-1-azatriene electrocyclization strategy to the total synthesis of the marine sponge metabolite ageladine A and biological evaluation of synthetic analogues. | The Journal of organic chemistry 20070622 |
| Total synthesis of ageladine A, an angiogenesis inhibitor from the marine sponge Agelas nakamurai. | Organic letters 20060330 |
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