ChemicalBook--->CAS DataBase List--->125414-41-7

125414-41-7

125414-41-7 Structure

125414-41-7 Structure
IdentificationBack Directory
[Name]

N-BOC-SERINOL, 97
[CAS]

125414-41-7
[Synonyms]

N-Boc-serinol 97%
N-BOC-SERINOL, 97
2-(Boc-amino)-1,3-propanediol
tert-Butyl (1,3-dihydroxypropan-2-yl)
t-Butyl 1,3-dihydroxypropan-2-ylcarbamate
tert-Butyl (1,3-dihydroxypropan-2-yl)carbaMate
tert-butyl N-[2-hydroxy-1-(hydroxymethyl)ethyl]carbamate
Carbamic acid, [2-hydroxy-1-(hydroxymethyl)ethyl]-, 1,1-dimethylethyl ester
CarbaMic acid,N-[2-hydroxy-1-(hydroxyMethyl)ethyl]-, 1,1-diMethylethyl ester
[Molecular Formula]

C8H17NO4
[MDL Number]

MFCD00270213
[MOL File]

125414-41-7.mol
[Molecular Weight]

191.22
Chemical PropertiesBack Directory
[Melting point ]

85-89 °C
[Boiling point ]

363.0±32.0 °C(Predicted)
[density ]

1.136±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[form ]

Solid
[pka]

11.60±0.46(Predicted)
[color ]

White to off-white
[InChI]

InChI=1S/C8H17NO4/c1-8(2,3)13-7(12)9-6(4-10)5-11/h6,10-11H,4-5H2,1-3H3,(H,9,12)
[InChIKey]

JHBKBRLRYPYBLP-UHFFFAOYSA-N
[SMILES]

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

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319
[Precautionary statements ]

P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

36
[Safety Statements ]

26
[WGK Germany ]

3
[HS Code ]

2924190090
Hazard InformationBack Directory
[Description]

T-Butyl 1,3-dihydroxypropan-2-ylcarbamate is a branched PEG derivative with biotin and two hydroxyl moieties. The hydroxyl groups enable further derivatization or replacement with other reactive functional groups. The Boc group can be deprotected under mild acidic conditions to form the free amine.
[Uses]

N-Boc-serinol is an alkyl/ether-based PROTAC linker that can be used in the synthesis of PROTACs[1].
[Synthesis]

Di-tert-butyl dicarbonate

24424-99-5

2-Amino-1,3-propanediol

534-03-2

N-BOC-SERINOL, 97

125414-41-7

The general procedure for the synthesis of N-BOC-serinol from di-tert-butyl dicarbonate and serinol was as follows: di-tert-butyl dicarbonate (24.0 g, 0.1 mol) was added to an ethanol (100 mL) solution of serinol (1.00 g, 0.1 mol). The reaction mixture was stirred at room temperature for 16 hours. After completion of the reaction, the reaction solution was concentrated to dryness under vacuum to afford N-BOC-serinol (21.0 g, yield: 100%) as a white solid.

[IC 50]

Alkyl/ether
[References]

[1] An S, et al. Small-molecule PROTACs: An emerging and promising approach for the development of targeted therapy drugs. EBioMedicine. 2018 Oct;36:553-562 DOI:10.1016/j.ebiom.2018.09.005
Spectrum DetailBack Directory
[Spectrum Detail]

N-BOC-SERINOL, 97(125414-41-7)1HNMR
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