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10436-25-6

10436-25-6 Structure

10436-25-6 Structure
IdentificationMore
[Name]

BOC-11-AMINOUNDECANOIC ACID
[CAS]

10436-25-6
[Synonyms]

BOC-11-AUN-OH
BOC-NH-(CH2)10-COOH
Boc-11-aminoundecanoicaci
BOC-11-AMINOUNDECYLIC ACID
BOC-11-AMINOUNDECANOIC ACID
Boc-11-Aun-OH >=98.0% (TLC)
11-(BOC-AMINO)-UNDECANOIC ACID
N-ALPHA-T-BOC-11-AMINOUNDECANOIC ACID
REF DUPL: Boc-11-Aminoundecanoic acid
T-BUTOXYCARBONYL-11-AMINOUNDECYLIC ACID
10436-25-6 BOC-11-AMINOUNDECANOIC ACID
T-BUTOXYCARBONYL-11-AMINOUNDECANOIC ACID
N-T-BUTYLOXYCARBONYL-11-AMINO-UNDECANOIC ACID
N-(tert-Butoxycarbonyl)-11-aminoundecanoic acid
N-TERT-BUTYLOXYCARBONYL-11-AMINO-UNDECANOIC ACID
Boc-11-AMinoundecanoic acid Boc-11-AMinoundecanoic acid
11-[(2-methylpropan-2-yl)oxycarbonylamino]undecanoic acid
Undecanoic acid, 11-[[(1,1-dimethylethoxy)carbonyl]amino]-
[Molecular Formula]

C16H31NO4
[MDL Number]

MFCD00076902
[Molecular Weight]

301.42
[MOL File]

10436-25-6.mol
Chemical PropertiesBack Directory
[Melting point ]

67-68 °C
[Boiling point ]

441.9±18.0 °C(Predicted)
[density ]

1.006±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

soluble in Methanol
[form ]

powder to crystal
[pka]

4.78±0.10(Predicted)
[color ]

White to Almost white
[BRN ]

1975656
[Major Application]

peptide synthesis
[InChI]

InChI=1S/C16H31NO4/c1-16(2,3)21-15(20)17-13-11-9-7-5-4-6-8-10-12-14(18)19/h4-13H2,1-3H3,(H,17,20)(H,18,19)
[InChIKey]

HPTPZJBSQUULAV-UHFFFAOYSA-N
[SMILES]

C(O)(=O)CCCCCCCCCCNC(OC(C)(C)C)=O
[CAS DataBase Reference]

10436-25-6(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[HS Code ]

2924.19.8000
[HazardClass ]

IRRITANT
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Description]

Boc-11-aminoundecanoic acid is an alkane chain with terminal carboxlic acid and Boc-protected amino groups. The compound can be used as a PROTAC linker in the synthesis of PROTACs. The terminal carboxylic acid can react with primary amine groups in the presence of activators (e.g. EDC, or HATU) to form a stable amide bond. The Boc group can be deprotected under mild acidic conditions to form the free amine.
[Chemical Properties]

White powder
[Uses]

Boc-11-aminoundecanoic acid is an Alkyl/ether-based?PROTAC linker?can be used in the synthesis of MS432 (HY-130602)[1].
[reaction suitability]

reaction type: Boc solid-phase peptide synthesis
[Synthesis]

11-Aminoundecanoic acid

2432-99-7

Di-tert-butyl dicarbonate

24424-99-5

BOC-11-AMINOUNDECANOIC ACID

10436-25-6

General procedure for the synthesis of Boc-11-aminoundecanoic acid from 11-aminoundecanoic acid and di-tert-butyl dicarbonate: 160 g of 11-aminoundecanoic acid, 2 liters of dioxane, 1.3 liters of distilled water, 208 g of sodium carbonate, and 173 g of di-tert-butyl dicarbonate were added sequentially to a 4-liter three-necked flask in a unit equipped with a mechanical stirrer and reflux condenser. The reaction mixture was heated to boiling point and the reaction was continued with stirring for 16 hours to obtain a clarified solution. Upon completion of the reaction, the mixture was cooled to 20 °C and subsequently poured into 800 g of ice and the pH was adjusted to 3-4 with 4 N hydrochloric acid, at which point a white precipitate was produced. The precipitate was separated by filtration, washed with 300 cm3 of water and then dried under reduced pressure at 20 °C (20 mm Hg, 2.7 kPa) to give 232 g of N-(tert-butoxycarbonyl)-11-aminoundecanoic acid in 95% yield. The melting point of the product (68°C) is in agreement with that reported in the literature J. Org. Chem. 1997,1987.Chem., 41,1350 (1976).

[IC 50]

Alkyl/ether
[References]

[1] Wei J, et al.Discovery of a First-in-Class Mitogen-Activated Protein Kinase Kinase 1/2 Degrader.J Med Chem. 2019 Dec 12;62(23):10897-10911. DOI:10.1021/acs.jmedchem.9b01528
Spectrum DetailBack Directory
[Spectrum Detail]

BOC-11-AMINOUNDECANOIC ACID(10436-25-6)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

10436-25-6(sigmaaldrich)
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