trans-4-Cyclohexyl-L-proline hydrochloride

Basic Information

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CAS Number

90657-55-9

Molecular Formula

C11H20ClNO2

Molecular Weight

233.74 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

257-267 ºC

SMILES

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C1CCC(CC1)C2CC(NC2)C(=O)O.Cl

InChI

InChI=1S/C11H19NO2.ClH/c13-11(14)10-6-9(7-12-10)8-4-2-1-3-5-8;/h8-10,12H,1-7H2,(H,13,14);1H/t9-,10+;/m1./s1

InChIKey

BHGFUQJUTOVQOS-UXQCFNEQSA-N

LogP

2.0511999999999997

Topological Polar Surface Area

49.33 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

211

Safety Information

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Hazard Statement

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

trans-4-Cyclohexyl-L-proline hydrochloride
(4S)-4-Cyclohexyl-L-proline Hydrochloride
H-Chpro-OH.HCl
TRANS-4-CYCLOHEXYL PROLINE HCL
Trans-4-cyclohexyl-l-proline, HCl
TRANS-4-CYCLOHEXYL-L-PROLINE MONOHYDRO-CHLORIDE
Trans-4-Cyclohexyl-P-prolinehydrochloride
L-Proline,4-cyclohexyl-, hydrochloride, (4S)- (9CI)
L-Proline, 4-cyclohexyl-,hydrochloride, trans-
(2S,4S)-4-cyclohexylpyrrolidine-2-carboxylic acid hydrochloride
L-Proline, 4-cyclohexyl-, hydrochloride, (4S)-
TRANS-4-CYCLOHEXYL-L-PROLINE HCL
PubChem9992
Fosinopril Impurity C HCl
BHGFUQJUTOVQOS-UXQCFNEQSA-N
S306
AX8213055
AB00185
L-Proline, 4-cyclohexyl-, hydrochloride, (4S)- (9CI)
L-Proline, 4-cyclohexyl-, hydrochloride, trans- (ZCI)
(2S,4S)-4-cyclohexylpyrrolidine-2-carboxylic acid
hydrochloride (1:1)
HY-W006093
GS-3299
SCHEMBL3418559
AKOS015898070
(trans)-4-cyclohexyl-L-proline hydrochloride
CS-W006093
NS00078730
90657-55-9
AKOS015843984

MDL Number

MFCD08704794

Customs Code

2933990090

FAQ

What are the physical and chemical properties of trans-4-Cyclohexyl-L-proline hydrochloride (CAS: 90657-55-9)?

Trans-4-Cyclohexyl-L-proline hydrochloride (CAS: 90657-55-9) is a white to off-white crystalline solid. It has a molecular weight of approximately 217.75 g/mol and is slightly soluble in water. It shows basic properties due to the presence of the hydrochloride group. The compound is stable and non-flammable under normal conditions, but it is reactive towards strong bases. It is often used in pharmaceutical and chemical synthesis applications.

How is trans-4-Cyclohexyl-L-proline hydrochloride (CAS: 90657-55-9) typically synthesized?

Trans-4-Cyclohexyl-L-proline hydrochloride (CAS: 90657-55-9) is typically synthesized via the chlorination of L-proline with hydrogen chloride in the presence of a suitable solvent such as acetonitrile. The reaction is conducted under mild conditions, and the yield is usually around 80-90%. The reaction is exothermic, and proper cooling is required to prevent the decomposition of the product.

What industries use trans-4-Cyclohexyl-L-proline hydrochloride (CAS: 90657-55-9)?

Trans-4-Cyclohexyl-L-proline hydrochloride (CAS: 90657-55-9) finds applications in the pharmaceutical industry for drug synthesis, and in polymer science for the modification of polymers. It is used as a chiral auxiliary in the resolution of racemic mixtures and as a building block in organic synthesis. Additionally, it is used in the development of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling trans-4-Cyclohexyl-L-proline hydrochloride (CAS: 90657-55-9)?

When handling trans-4-Cyclohexyl-L-proline hydrochloride (CAS: 90657-55-9), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. It should be stored in a cool, dry place away from direct sunlight and heat sources. Handling should be conducted in a fume hood to minimize inhalation exposure. In the event of a spill, it should be cleaned up by a trained individual using appropriate procedures, and the area should be thoroughly ventilated. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information.