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103898-11-9

103898-11-9 Structure

103898-11-9 Structure
IdentificationBack Directory
[Name]

TERT-BUTYL N,N-BIS(2-HYDROXYETHYL)CARBAMATE
[CAS]

103898-11-9
[Synonyms]

BOC-DIETHANOLAMINE
N-BOC-DIETHANOLAMINE
1-Boc-diethanolamine
tert-Butyl bis(2-hydroxyethyl)
Boc-diethanolamine≥ 98% (Assay)
N-Boc-diethanolamine >=98.0% (GC)
tert-Butyl bis(2-hydroxyethyl)carbamate
Bis(2-hydroxyethyl)amine, N-BOC protected
TERT-BUTYL N,N-BIS(2-HYDROXYETHYL)CARBAMATE
Bis(2-hydroxyethyl)amine, N-BOC protected 97%
TERT-BUTYL N,N-BIS(2-HYDROXYETHYL)CARBAMATE USP/EP/BP
CarbaMic acid, bis(2-hydroxyethyl)-, 1,1-diMethylethyl ester
Carbamic acid, N,N-bis(2-hydroxyethyl)-, 1,1-dimethylethyl ester
[Molecular Formula]

C9H19NO4
[MDL Number]

MFCD01862953
[MOL File]

103898-11-9.mol
[Molecular Weight]

205.25
Chemical PropertiesBack Directory
[Boiling point ]

324.2±35.0 °C(Predicted)
[density ]

1.085 g/mL at 20 °C(lit.)
[refractive index ]

n20/D 1.461
[storage temp. ]

Inert atmosphere,2-8°C
[form ]

Liquid or Oil
[pka]

14.29±0.10(Predicted)
[color ]

Colorless
[BRN ]

4386562
[InChI]

InChI=1S/C9H19NO4/c1-9(2,3)14-8(13)10(4-6-11)5-7-12/h11-12H,4-7H2,1-3H3
[InChIKey]

KMUNFRBJXIEULW-UHFFFAOYSA-N
[SMILES]

C(OC(C)(C)C)(=O)N(CCO)CCO
[CAS DataBase Reference]

103898-11-9
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

3
[F ]

10-21
[HS Code ]

2933998090
Hazard InformationBack Directory
[Description]

tert-butyl bis(2-hydroxyethyl)carbamate is a branched PEG with a tert-butyl protecting group and two hydroxyl end groups. The t-butyl group can be deprotected under acidic conditions. The hydroxyl group can react to further derivatize the compound. The hydrophilic PEG linker increases the water solubility of the compound in aqueous media.
[Chemical Properties]

Light yellow clear liquid
[Uses]

Building block for the synthesis of cationic lipids, nucleosides, etc.
[reaction suitability]

reagent type: cross-linking reagent
[Synthesis]

Di-tert-butyl dicarbonate

24424-99-5

Diethanolamine

111-42-2

TERT-BUTYL N,N-BIS(2-HYDROXYETHYL)CARBAMATE

103898-11-9

Under nitrogen protection, 2,2'-Azabisethanol (4.21 g, 40 mmol) was dissolved in acetonitrile (50 mL), and a solution of di-tert-butyl dicarbonate (Boc2O, 9.60 g, 44 mmol) in acetonitrile (50 mL) was slowly added. The reaction mixture was stirred at room temperature for 3.5 h. The solvent was removed by concentration under reduced pressure to afford tert-butyl bis(2-hydroxyethyl)carbamate as a colorless oil (8.20 g, 100% yield).

[IC 50]

Cleavable Linker; Alkyl/ether
[References]

[1] Bioorganic and Medicinal Chemistry Letters, 1997, vol. 7, # 24, p. 3135 - 3138
[2] Nucleosides and Nucleotides, 1999, vol. 18, # 2, p. 227 - 238
[3] Nucleosides, Nucleotides and Nucleic Acids, 2002, vol. 21, # 2, p. 111 - 123
[4] Bioorganic and Medicinal Chemistry, 2004, vol. 12, # 17, p. 4645 - 4665
[5] Patent: WO2014/12360, 2014, A1. Location in patent: Paragraph 00384
Spectrum DetailBack Directory
[Spectrum Detail]

TERT-BUTYL N,N-BIS(2-HYDROXYETHYL)CARBAMATE(103898-11-9)1HNMR
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