ChemicalBook--->CAS DataBase List--->127828-22-2

127828-22-2

127828-22-2 Structure

127828-22-2 Structure
IdentificationBack Directory
[Name]

Carbamic acid, [2-(2-aminoethoxy)ethyl]-, 1,1-dimethylethyl ester (9CI)
[CAS]

127828-22-2
[Synonyms]

BOC-NH-PEG1-NH2
Amino-PEG2-NH-Boc
BOC-N-AMIDO-PEG1-NH2
BocNH-PEG?-CH?CH?NH?
Boc-N-amido-PEG1-Amine
t-Boc-N-amido-PEG1-Amine
[2-(2-aminoethoxy)ethyl]-
N-Boc-2-(2-amino-ethoxy)-ethyla
N-Boc-2-(2-Aminoethoxy)ethanamine
N-Boc-2-(2-amino-ethoxy)-ethylamine
N-Boc-2-aminoethyl 2-aminoethyl ether
N-Boc-2-(2-aminoethoxy)ethylamine≥ 98% (GC)
tert-Butyl [2-(2-aminoethoxy)ethyl]carbamate
tert-butyl N-[2-(2-aminoethoxy)ethyl]carbamate
[2-(2-aMinoethoxy)ethyl]-, 1,1-diMethylethyl ester
N-(tert-Butoxycarbonyl)-2-(2-aminoethoxy)ethylamine
Boc-NH-PEG2 Tert-butyl 2-(2-aminoethoxy)ethylcarbamate
[2-(2-Aminoethoxy)ethyl]carbamic Acid tert-Butyl Ester
Carbamic acid, [2-(2-aminoethoxy)ethyl]-, 1,1-dimethylethyl ...
BocNH-PEG1-CH2CH2NH2
CarbaMic acid, [2-(2-aMinoethoxy)ethyl]-, 1,1-diMethylethyl ester
Carbamic acid, N-[2-(2-aminoethoxy)ethyl]-, 1,1-dimethylethyl ester
Carbamic acid, [2-(2-aminoethoxy)ethyl]-, 1,1-dimethylethyl ester (9CI)
Carbamic acid, [2-(2-aminoethoxy)ethyl]-, 1,1-dimethylethyl ester (9CI) USP/EP/BP
3-Oxapentane-1,5-diamine, N-BOC protected, 2-(2-Aminoethoxy)ethylamine, N-BOC protected
[EINECS(EC#)]

821-336-1
[Molecular Formula]

C9H20N2O3
[MDL Number]

MFCD12031501
[MOL File]

127828-22-2.mol
[Molecular Weight]

204.267
Chemical PropertiesBack Directory
[Boiling point ]

321.1±22.0 °C(Predicted)
[density ]

1.023±0.06 g/cm3(Predicted)
[refractive index ]

1.4560 to 1.4600
[storage temp. ]

2-8°C(protect from light)
[form ]

clear liquid
[pka]

12.24±0.46(Predicted)
[color ]

Colorless to Light orange to Yellow
[InChI]

InChI=1S/C9H20N2O3/c1-9(2,3)14-8(12)11-5-7-13-6-4-10/h4-7,10H2,1-3H3,(H,11,12)
[InChIKey]

VULKFBHOEKTQSF-UHFFFAOYSA-N
[SMILES]

C(OC(C)(C)C)(=O)NCCOCCN
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)
GHS05
[Signal word ]

Danger
[Hazard statements ]

H314
[Precautionary statements ]

P310-P260-P280
[HS Code ]

2934999090
Hazard InformationBack Directory
[Description]

t-Boc-N-Amido-PEG1-amine is a small molecule PEG reagent containing an amino group and Boc-protected amino group. The amino group is reactive with carboxylic acids, activated NHS esters, carbonyls (ketone, aldehyde) etc. The Boc group can be deprotected under mild acidic conditions to form the free amine.
[Chemical Properties]

Colorless viscous liquid
[Uses]

Amino-PEG2-NH-Boc is a PEG-based PROTAC linker can be used in the synthesis of PROTACs[1].
[Synthesis]

Carbamic acid, N-[2-(2-azidoethoxy)ethyl]-, 1,1-dimethylethyl ester

176220-30-7

Carbamic acid, [2-(2-aminoethoxy)ethyl]-, 1,1-dimethylethyl ester (9CI)

127828-22-2

Step 4: Synthesis of tert-butyl [2-(2-aminoethoxy)ethyl]carbamate (58) Under argon protection, tert-butyl (2-(2-azidoethoxy)ethyl)carbamate (57, 5.0 g, 0.0217 mol) was dissolved in methanol (100 mL) and palladium/carbon catalyst (2.5 g, 10 mL) was added. The reaction mixture was stirred overnight at room temperature under hydrogen (50 psi) atmosphere. Upon completion of the reaction, the catalyst was removed by filtration through a diatomaceous earth pad and the filtrate was concentrated under reduced pressure to afford tert-butyl [2-(2-aminoethoxy)ethyl]carbamate (58, 3.0 g). The resulting product can be used directly in the subsequent reaction without further purification. 1H NMR (400 MHz, MeOD) δ 3.48-3.45 (m, 4H), 3.23-3.20 (t, 2H), 2.77-2.75 (m, 2H), 1.43 (s, 9H).

[IC 50]

PEGs; Alkyl/ether
[References]

[1] Qiu X, et al. Chemoselective Synthesis of Lenalidomide-Based PROTAC Library Using Alkylation Reaction. Org Lett. 2019 May 17;21(10):3838-3841. DOI:10.1021/acs.orglett.9b01326
Spectrum DetailBack Directory
[Spectrum Detail]

Carbamic acid, [2-(2-aminoethoxy)ethyl]-, 1,1-dimethylethyl ester (9CI)(127828-22-2)1HNMR
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