Cas no 676631-04-2 ((S)-(1-Formyl-3-methyl-butyl)-methyl-carbamic acid tert-butyl ester)
676631-04-2 structure
Product Name:(S)-(1-Formyl-3-methyl-butyl)-methyl-carbamic acid tert-butyl ester
CAS No:676631-04-2
MF:C12H23NO3
MW:229.315923929214
CID:394351
Update Time:2023-08-03
(S)-(1-Formyl-3-methyl-butyl)-methyl-carbamic acid tert-butyl ester Chemical and Physical Properties
Names and Identifiers
-
- Carbamic acid, [(1S)-1-formyl-3-methylbutyl]methyl-, 1,1-dimethylethylester
- (S)-(1-Formyl-3-methyl-butyl)-methyl-carbamic acid tert-butyl ester
- N-methyl-N-boc-l-leucinal
- QBYOTNHEIUVPHL-JTQLQIEISA-N
- n-tert-butoxycarbonyl-n-methyl-l-leucinal
-
- Inchi： 1S/C12H23NO3/c1-9(2)7-10(8-14)13(6)11(15)16-12(3,4)5/h8-10H,7H2,1-6H3/t10-/m0/s1
- InChI Key： QBYOTNHEIUVPHL-JTQLQIEISA-N
- SMILES： O(C(N(C)[C@H](C=O)CC(C)C)=O)C(C)(C)C
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 243
- Topological Polar Surface Area: 46.6
(S)-(1-Formyl-3-methyl-butyl)-methyl-carbamic acid tert-butyl ester Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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