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Merck
CN

90303

4-(Boc-amino)butyl bromide

technical, ≥90% (AT)

Synonym(s):

Carbamic acid, (4-bromobutyl)-, 1,1-dimethylethyl ester, tert-Butyl N-(4-bromobutyl)carbamate

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About This Item

Linear Formula:
Br(CH2)4NHCO2C(CH3)3
CAS Number:
164365-88-2
Molecular Weight:
252.15
NACRES:
NA.22
PubChem Substance ID:
57653383
UNSPSC Code:
12352200
MDL number:
MFCD06201020
Assay:
≥90% (AT)
Form:
liquid

Key Documents

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InChI key

GKGFAEREWWZBKY-UHFFFAOYSA-N

SMILES string

BrCCCCNC(OC(C)(C)C)=O

InChI

1S/C9H18BrNO2/c1-9(2,3)13-8(12)11-7-5-4-6-10/h4-7H2,1-3H3,(H,11,12)

grade

technical

assay

≥90% (AT)

form

liquid

reaction suitability

reagent type: cross-linking reagent

impurities

~5% 1-boc-pyrrolidine

functional group

Boc, amine, bromo

storage temp.

2-8°C

Quality Level

100

Related Categories

Application

4-(Boc-amino)butyl bromide can be used:
  • For the synthesis of N-Boc-aminoalkoxyphenyl derivatives, precursor to pharmacophore elements for the treatment of glaucoma.
  • For the synthesis of various aloperine derivatives with potential application as anti-HIV agents.
  • For the modification of 4,5,6,7-tetrabromobenzotriazole (TBB) derivatives to generate improved CK2 inhibitors.

Other Notes

Building block for the synthesis of natural products and biologically active compounds.

pictograms

Corrosion
GHS05

signalword

Danger

hcodes

H318

Hazard Classifications

Eye Dam. 1

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
BCCD0750
BCBT0689
BCBM2387V
BCBH6003V
BCBF6551V

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Identification of bivalent ligands with melatonin receptor agonist and fatty acid amide hydrolase (FAAH) inhibitory activity that exhibit ocular hypotensive effect in the rabbit.
Spadoni G, et al.
Journal of medicinal chemistry, 61(17), 7902-7916 (2018)
Synthesis, biological activity and structural study of new benzotriazole-based protein kinase CK2 inhibitors.
Swider R, et al.
Royal Society of Chemistry Advances, 5(89), 72482-72494 (2015)
H. Ina et al.
The Journal of Organic Chemistry, 61, 1023 -1023 (1995)
Structure Optimization of Aloperine Derivatives as HIV-1 Entry Inhibitors.
Dang Z, et al.
ACS Medicinal Chemistry Letters, 8(11), 1199-1203 (2017)
D.L. Selwood et al.
Journal of Medicinal Chemistry, 4, 78-78 (2001)

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