(S)-Benzyl 2-((tert-Butoxycarbonyl)amino)-4-iodobutanoate - CAS 119768-48-8
Catalog: |
BB074040 |
Product Name: |
(S)-Benzyl 2-((tert-Butoxycarbonyl)amino)-4-iodobutanoate |
CAS: |
119768-48-8 |
Synonyms: |
(S)-Benzyl 2-((tert-butoxycarbonyl)amino)-4-iodobutanoate; Benzyl (2S)-4-iodo-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate; (S)-2-(Boc-amino)-4-iodobutanoic acid benzyl ester |
IUPAC Name: | benzyl (2S)-4-iodo-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate |
Description: | (S)-Benzyl 2-((tert-Butoxycarbonyl)amino)-4-iodobutanoate is a useful reactant in organic synthesis. |
Molecular Weight: | 419.25 |
Molecular Formula: | C16H22NO4I |
Canonical SMILES: | CC(C)(C)OC(=O)NC(CCI)C(=O)OCC1=CC=CC=C1 |
InChI: | InChI=1S/C16H22INO4/c1-16(2,3)22-15(20)18-13(9-10-17)14(19)21-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,20)/t13-/m0/s1 |
InChI Key: | JEVYMKABCFNGIG-ZDUSSCGKSA-N |
References: | Arribat, Mathieu, et al. J. of the Ame. Chem. Soc., 140(3), 1028-1034 (2018);Koseki, Yohei, et al. Euro. J. of Org. Chem., 2015(18), 4024-4032 (2015). |
Complexity: | 362 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 419.05936 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 419.05936 |
Rotatable Bond Count: | 9 |
Topological Polar Surface Area: | 64.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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