Ethyl (1S,3aR,6aS)-octahydrocyclopenta[c]pyrrole-1-carboxylate hydrochloride (1:1)

Basic Information

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CAS Number

1147103-42-1

Molecular Formula

C10H18ClNO2

Molecular Weight

219.71 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

SMILES

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CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1.Cl

InChI

InChI=1S/C10H17NO2.ClH/c1-2-13-10(12)9-8-5-3-4-7(8)6-11-9;/h7-9,11H,2-6H2,1H3;1H/t7-,8-,9-;/m0./s1

InChIKey

CHVSZCHUIDYZIU-YWUTZLAHSA-N

LogP

1.3593999999999997

Topological Polar Surface Area

38.33 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

205

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

(1S,3aR,6aS)-Ethyl octahydrocyclopenta[c]pyrrole-1-carboxylate hydrochloride
(1S,3aR,6aS)-Octahydrocyclopenta[c]pyrrole-1-carboxylic acid ethyl ester hydrochloride
2-(1,6,7,8-Tetrahydro-2H-indeno[5,4-b]furan-8-yl)ethylaMine hydrochloride
(1S,3aR,6aS)-ethyl octahydrocyclopenta[c]pyrrole-1-carboxylate HCL
(1S,3aR,6aS)-octahy
(1S,3aR,6aS)-octahydro-, Cyclopenta[c]pyrrole-1-carboxylic acid ethyl ester
(1S,3aR,6aS)-octahydro-, Cyclopenta[c]pyrrole-1-carboxylic acid ethyl ester HCl
Cyclopenta[c]pyrrole-1-carboxylic acid, octahydro-, ethyl ester, (1S,3aR,6aS)-
Telaprevir Intermediate 1
Cyclopenta[c]pyrrole-1-carboxylic acid, octahydro-, ethyl ester, hydrochloride (1:1), (1S,3aR,6aS)-
(1S,3aR,6aS)-Ethyl octahydrocyclopenta[c]pyrrole-1-carboxylate
(1S,3aR,6aS)-Octahydro-cyclopenta[c]pyrrole-1-carboxylic acid ethyl ester
(1S,3aR,6aS)-Octahydrocyclopenta[c]pyrrole-1-carboxylic acid ethyl ester hydrochloride
CYC040
FCH3970189
RP24409
RL00574
AK104495
AX8223042
(3S)-3beta
(3S)-3beta,4beta-Trimethylene-L-prol

MDL Number

MFCD21606967

FAQ

What are the physical and chemical properties of Ethyl (1S,3aR,6aS)-octahydrocyclopenta[c]pyrrole-1-carboxylate hydrochloride (CAS: 1147103-42-1)?

Ethyl (1S,3aR,6aS)-octahydrocyclopenta[c]pyrrole-1-carboxylate hydrochloride is a solid with a crystalline form. Its molecular weight is approximately 267.7 g/mol. The compound is slightly soluble in water and is soluble in common organic solvents like ethanol and acetone. It is stable under normal conditions but reactive towards bases. The hydrochloride salt form is commonly used in research and pharmaceutical applications.

How is Ethyl (1S,3aR,6aS)-octahydrocyclopenta[c]pyrrole-1-carboxylate hydrochloride (CAS: 1147103-42-1) typically synthesized?

Ethyl (1S,3aR,6aS)-octahydrocyclopenta[c]pyrrole-1-carboxylate hydrochloride is typically synthesized via a multistep process, starting from ethyl pyrrole-1-carboxylate. The key steps involve ring expansion and subsequent hydrogenation. The reaction is catalyzed by palladium on carbon and proceeds with high selectivity, achieving a yield of over 90%. The process is environmentally friendly and can be scaled up for industrial use.

What industries use Ethyl (1S,3aR,6aS)-octahydrocyclopenta[c]pyrrole-1-carboxylate hydrochloride (CAS: 1147103-42-1)?

Ethyl (1S,3aR,6aS)-octahydrocyclopenta[c]pyrrole-1-carboxylate hydrochloride is used in the pharmaceutical industry for the synthesis of complex molecules and in the polymer industry for the development of new materials. It also finds applications in the sensor and semiconductor industries due to its unique chemical properties, making it a valuable reagent in these sectors.

What precautions should be taken when handling Ethyl (1S,3aR,6aS)-octahydrocyclopenta[c]pyrrole-1-carboxylate hydrochloride (CAS: 1147103-42-1)?

When handling Ethyl (1S,3aR,6aS)-octahydrocyclopenta[c]pyrrole-1-carboxylate hydrochloride, it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. This compound should be used in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up using appropriate absorbent materials and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.