1-Adamantyl isocyanate

Names

[ CAS No. ]:
4411-25-0

[ Name ]:
1-Adamantyl isocyanate

[Synonym ]:
MFCD00134405
1-isocyanatoadamantane

Chemical & Physical Properties

[ Density]:
1.34 g/cm3

[ Boiling Point ]:
247.1ºC at 760 mmHg

[ Melting Point ]:
144-146 °C(lit.)

[ Molecular Formula ]:
C₁₁H₁₅NO

[ Molecular Weight ]:
177.24300

[ Flash Point ]:
88.5ºC

[ Exact Mass ]:
177.11500

[ PSA ]:
29.43000

[ LogP ]:
2.29100

[ Index of Refraction ]:
1.686

MSDS

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302-H312-H315-H319-H332-H335

[ Precautionary Statements ]:
P261-P280-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xn: Harmful;

[ Risk Phrases ]:
R20/21/22;R36/37/38

[ Safety Phrases ]:
S26-S27-S36/37/39

[ RIDADR ]:
2206

[ WGK Germany ]:
3

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1(b)

[ HS Code ]:
2929109000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

1-Bromoadamantane
phosgene
Azidotrimethylsilane
adamantanecarbonyl chloride
N-hydroxyadamantane-1-carboxamide
Adamantan-1-ol
1-adamantanoylazide
carbon monoxide

DownStream

N-(1-adamantyl)-2-chloroacetamide
Acetamide,2,2,2-trifluoro-N-tricyclo[3.3.1.13,7]dec-1-yl-
(Z)-N-(1-adamantyl)-4-hydroxy-4-(4-methylphenyl)-2-oxobut-3-enamide
2-(1-adamantylimino)-5-(4-methylphenyl)furan-3-one
(Z)-N-(1-adamantyl)-4-hydroxy-2-oxo-4-phenylbut-3-enamide
5-Phenyl-2-(tricyclo(3.3.1.1(sup 3,7))dec-1-ylimino)-3(2H)-furanone
2-(1-adamantylimino)-5-(4-chlorophenyl)furan-3-one
(Z)-N-(1-adamantyl)-4-(4-chlorophenyl)-4-hydroxy-2-oxobut-3-enamide
N-(1-ADAMANTYL)HYDRAZINECARBOXAMIDE
AUDA

Customs

[ HS Code ]: 2929109000

[ Summary ]:
2929109000. other isocyanates. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Articles

Design of bioavailable derivatives of 12-(3-adamantan-1-yl-ureido)dodecanoic acid, a potent inhibitor of the soluble epoxide hydrolase.

Bioorg. Med. Chem. 15(1) , 312-23, (2007)

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-ure...

Design, synthesis, and biological activity of 1,3-disubstituted ureas as potent inhibitors of the soluble epoxide hydrolase of increased water solubility.

J. Med. Chem. 47(8) , 2110-22, (2004)

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 ar...

1,3-disubstituted ureas functionalized with ether groups are potent inhibitors of the soluble epoxide hydrolase with improved pharmacokinetic properties.

J. Med. Chem. 50(21) , 5217-26, (2007)

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...

1-adamantyl(dimethyl)sulfanium,iodide
1-ADAMANTYL(BROMO)ACETIC ACID
1-adamantyl nitrate
1-adamantyl p-toluate
1-adamantyl fluoromethyl ketone
1-adamantyl benzyl ether
2-(3-methoxypropyl)-8-(2-pyridylmethyl)pyrido[4,3-b][1,6]naphthyridine-1,9(2H,8H)-dione
2-(2-methoxyethyl)-8-(pyridin-2-ylmethyl)pyrido[4,3-b][1,6]naphthyridine-1,9(2H,8H)-dione
2-(4-methoxyphenyl)-8-(2-pyridylmethyl)pyrido[4,3-b][1,6]naphthyridine-1,9(2H,8H)-dione
2-(3-chlorophenyl)-8-(3-pyridylmethyl)pyrido[4,3-b][1,6]naphthyridine-1,9(2H,8H)-dione
2-(2-methoxyphenyl)-8-(pyridin-3-ylmethyl)pyrido[4,3-b][1,6]naphthyridine-1,9(2H,8H)-dione
2-(3-methoxyphenyl)-8-(3-pyridylmethyl)pyrido[4,3-b][1,6]naphthyridine-1,9(2H,8H)-dione
2-(2-hydroxyethyl)-8-(3-pyridylmethyl)pyrido[4,3-b][1,6]naphthyridine-1,9(2H,8H)-dione
2-(2-methoxyethyl)-8-(3-pyridylmethyl)pyrido[4,3-b][1,6]naphthyridine-1,9(2H,8H)-dione
2-(2-morpholinoethyl)-8-(3-pyridylmethyl)pyrido[4,3-b][1,6]naphthyridine-1,9(2H,8H)-dione
2-(3-methyl-1H-1,2,4-triazol-5-yl)-8-phenethylpyrido[4,3-b][1,6]naphthyridine-1,9(2H,8H)-dione

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.