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3,4-Bis{[tert-butyl(dimethyl)silyl]oxy}pyrrolidine

HCID 53399166
NotesReactions
Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
138228-47-4
Standard SMILES
CC(C)(C)[Si](C)(C)OC1CNCC1O[Si](C)(C)C(C)(C)C
InChIKey
KGWDAGKEVSFIBY-UHFFFAOYSA-N
Molecular formula
C16H37NO2Si2
Average molar mass
331.64 g/mol
Monoisotopic mass
331.23628249

Names & identifiers

Preferred name
3,4-Bis{[tert-butyl(dimethyl)silyl]oxy}pyrrolidine
IUPAC
tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-yl]oxy-dimethylsilane
English name
(3S,4S)-3,4-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]pyrrolidine
Molecular formula
C16H37NO2Si2
Molecular weight
331.64

Names & synonyms

DTXSID006945643,4-Bis{[tert-butyl(dimethyl)silyl]oxy}pyrrolidine3,4-Bis{[tert-butyldi(methyl)silyl]oxy}pyrrolidine(3S,4S)-3,4-Bis((tert-butyldimethylsilyl)oxy)pyrrolidine(3S,4S)-3,4-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]pyrrolidinePyrrolidine, 3,4-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, (3S,4S)-tert-butyl-[[4-[tert-butyl(dimethyl)silyl]oxy-3-pyrrolidinyl]oxy]-dimethylsilane

Database identifiers

CAS
138228-47-4
PubChem CID
53399166
DTXSID
DTXSID00694564
Nikkaji
J2.696.505E

Properties

Computed structural properties

Topological polar surface area
30.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
21
Formal charge
0
Complexity
322

Physicochemical properties

Boiling point
324.2 · 324.2±42.0 °C(Predicted)
Density
0.9 · 0.90±0.1 g/cm3(Predicted)
pka
8.46 · 8.46±0.10(Predicted)

Chemistry & industry

Suppliers7 total

上海安化生物技术有限公司021-61263375 18168859245
Shanxi Tihondan Pharmaceutical Technology Co., Ltd+8618235132063 · [email protected]
苏州键合化学试剂有限公司0512-69561983 13914027025 · [email protected]
苏州美诺医药科技有限公司0512-69561983 13914027025 · [email protected]
Shanxi Xuanran Import and Export Trade Co., Ltd.+8617735180244 · [email protected]
无锡迈默拓普生物科技有限公司15061806929 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]

Related reactions

1 records
New reaction record
HRID 2319628 reaction equation
HRID 2319628As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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