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Merck
CN

375063

1-Adamantyl isocyanate

97%

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About This Item

Empirical Formula (Hill Notation):
C11H15NO
CAS Number:
4411-25-0
Molecular Weight:
177.24
NACRES:
NA.22
PubChem Substance ID:
24863361
UNSPSC Code:
12352100
MDL number:
MFCD00134405

Key Documents

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Product Name

1-Adamantyl isocyanate, 97%

InChI

1S/C11H15NO/c13-7-12-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-6H2/t8-,9+,10-,11-

SMILES string

O=C=NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2

InChI key

VBHCPGFCIQDXGZ-BIBSGERRSA-N

assay

97%

mp

144-146 °C (lit.)

functional group

isocyanate

Related Categories

Application

1-Adamantyl isocyanate may be used in the preparation of:
  • adamantyl-functionalized nanoparticles, via thiol-isocyanate reaction of thiol-modified nanoparticles1 4-[3-(aryl or -cycloalkyl)ureido]butyryl compound
  • 4-(3-adamantan-1-yl-ureido)butyric acid, via reaction with 4-aminobutanoic acid in DMF
  • 4-(3-adamantan-1-yl-ureido)butyryloxy compound
  • 12-(3-adamantan-1-yl-ureido) dodecanoic acid (AUDA)
  • adamantyl-phenylsulfonamide ureas
  • 1-adamantan-1-yl-3-(hydroxyalkyl)ureas, via reaction with with hydroxyalkylamines

General description

1-Adamantyl isocyanate is an isocyanate derivative.

pictograms

Health hazardExclamation mark
GHS08,GHS07

signalword

Danger

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKCN5232
MKCK3593
MKCG7841
MKCD3575
MKBW4529V

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In-Hae Kim et al.
Journal of medicinal chemistry, 47(8), 2110-2122 (2004-04-02)
The soluble epoxide hydrolase (sEH) is involved in the metabolism of endogenous chemical mediators that play an important role in blood pressure regulation and inflammation. 1,3-Disubstituted ureas are potent inhibitors of sEH that are active both in vitro and in
E Jeffrey North et al.
Bioorganic & medicinal chemistry, 21(9), 2587-2599 (2013-03-19)
Out of the prominent global ailments, tuberculosis (TB) is still one of the leading causes of death worldwide due to infectious disease. Development of new drugs that shorten the current tuberculosis treatment time and have activity against drug resistant strains
In-Hae Kim et al.
Bioorganic & medicinal chemistry, 15(1), 312-323 (2006-10-19)
The soluble epoxide hydrolase (sEH) plays an important role in the metabolism of endogenous chemical mediators involved in blood pressure regulation and vascular inflammation. 12-(3-Adamantan-1-yl-ureido)-dodecanoic acid (AUDA, 1) is a very active inhibitor of sEH both in vitro and in
Kathrin Isenbügel et al.
Macromolecular rapid communications, 31(24), 2121-2126 (2011-05-14)
Stable nanoparticle vesicles were for the first time prepared from adamantyl- and cyclodextrin (CD)-modified silica nanoparticles forming host-guest interactions in aqueous solution. Adamantyl-functionalized nanoparticles were obtained from thiol-isocyanate reaction of thiol-modified nanoparticles with 1-adamantyl isocyanate. The CD modified silica particles
In-Hae Kim et al.
Journal of medicinal chemistry, 50(21), 5217-5226 (2007-09-27)
Soluble epoxide hydrolase (sEH) is a therapeutic target for treating hypertension and inflammation. 1,3-Disubstituted ureas functionalized with an ether group are potent sEH inhibitors. However, their relatively low metabolic stability leads to poor pharmacokinetic properties. To improve their bioavailability, we

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