(3s,5s,7s)-1-(2-Bromoethyl)adamantane

Basic Information

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CAS Number

773-37-5

Molecular Formula

C12H19Br

Molecular Weight

243.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

SMILES

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C1C2CC3CC1CC(C2)(C3)CCBr

InChI

InChI=1S/C12H19Br/c13-2-1-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,1-8H2/t9-,10+,11-,12+

InChIKey

OVKAIZXCUJMFLN-BKUVIOGVSA-N

LogP

3.9878000000000036

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

168

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

AB90282
AKOS000117434
FT-0684011
s11154
LS-04992
AKOS023552799
1-(adamantan-1-yl)-2-bromoethane
2-(1-adamantyl)ethylbromide
F1928-0018
CS-W001642
A808516
1-Bromo-2-(adamant-1-yl)ethane
1-(2-Bromoethyl)-adamantane
Tricyclo[3.3.1.13,7]decane, 1-(2-bromoethyl)-
1-(2-Bromo-ethyl)-adamantane
J-502952
1-(2-bromoethyl)adamantane
MFCD00153991
DTXSID10362863
OVKAIZXCUJMFLN-UHFFFAOYSA-N
EN300-09861
A839055
773-37-5
SCHEMBL1558931
1-(2-Bromoethyl)adamantane
1-(2-BROMOETHYL)-ADAMANTANE
1-(2'-bromoethyl)adamantane
1-bromo-2-(adamant-1-yl)ethane
2-(1-adamantyl)ethyl bromide
2-(adamant-1-yl)ethyl bromide
2-adamantanyl-1-bromoethane

MDL Number

MFCD00153991

FAQ

What are the physical and chemical properties of (3s,5s,7s)-1-(2-Bromoethyl)adamantane (CAS: 773-37-5)?

(3s,5s,7s)-1-(2-Bromoethyl)adamantane is a crystalline compound with a molecular weight of approximately 261.03 g/mol. It is sparingly soluble in water but more soluble in organic solvents. Chemically, it shows moderate reactivity towards nucleophiles due to the bromine substituent, which can undergo substitution reactions. It is stable under normal conditions but may react under strong basic or acidic conditions.

How is (3s,5s,7s)-1-(2-Bromoethyl)adamantane (CAS: 773-37-5) typically synthesized?

(3s,5s,7s)-1-(2-Bromoethyl)adamantane can be synthesized via a multistep process involving the bromination of adamantane followed by the introduction of an ethyl group. The synthesis typically requires a brominating agent like N-bromosuccinimide (NBS) and a radical initiator. The yield is moderate, and the method involves careful control of reaction conditions to achieve the desired stereochemistry.

What industries use (3s,5s,7s)-1-(2-Bromoethyl)adamantane (CAS: 773-37-5)?

(3s,5s,7s)-1-(2-Bromoethyl)adamantane finds applications in the pharmaceutical industry, where it can serve as a building block for drug synthesis. It is also used in the polymer industry for modifying the properties of polymers. Additionally, it has potential uses in sensors and semiconductors due to its unique molecular structure.

What precautions should be taken when handling (3s,5s,7s)-1-(2-Bromoethyl)adamantane (CAS: 773-37-5)?

When handling (3s,5s,7s)-1-(2-Bromoethyl)adamantane, it is crucial to wear appropriate personal protective equipment (PPE) such as gloves and safety goggles. The compound should be stored in a cool, dry place away from direct sunlight. In case of skin contact, immediate washing with soap and water is recommended. A fume hood should be used during handling to minimize inhalation risk, and a safety data sheet (SDS) should be consulted for detailed safety information.