Cas no 1049978-59-7 (trans-4-(2-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid hydrochloride)

Technical Introduction: trans-4-(2-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid hydrochloride is a chiral pyrrolidine derivative featuring a trifluoromethylphenyl substituent and a carboxylic acid functional group. The trans configuration ensures stereochemical specificity, making it valuable for applications requiring precise molecular interactions. The trifluoromethyl group enhances lipophilicity and metabolic stability, while the carboxylic acid moiety allows for further derivatization or salt formation. This compound is commonly utilized as an intermediate in pharmaceutical synthesis, particularly in the development of bioactive molecules targeting central nervous system (CNS) disorders or enzyme inhibition. Its hydrochloride salt form improves solubility and handling properties, facilitating its use in research and industrial settings.
trans-4-(2-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid hydrochloride structure
1049978-59-7 structure
Product Name:trans-4-(2-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid hydrochloride
CAS No:1049978-59-7
MF:C12H13ClF3NO2
MW:295.685333013535
MDL:MFCD11520209
CID:69755
PubChem ID:56971985
Update Time:2025-05-20

trans-4-(2-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid hydrochloride Chemical and Physical Properties

Names and Identifiers

    • trans-4-(2-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid hydrochloride
    • trans-4-(2-(Trifluoromethyl)
    • (3S,4R)-4-(2-(TRIFLUOROMETHYL)PHENYL)PYRROLIDINE-3-CARBOXYLIC ACID
    • (+/-)-trans-4-(2-Trifluoromethyl-phenyl)-pyrrolidine-3-carboxylic acid HCl
    • 1049978-59-7
    • CS-0156728
    • (3R,4S)-4-(2-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid hydrochloride
    • (3R,4S)-4-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid;hydrochloride
    • DS-14020
    • AKOS015924281
    • trans-4-(2-(trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid HCl
    • (3R,4S)-4-[2-(TRIFLUOROMETHYL)PHENYL]PYRROLIDINE-3-CARBOXYLIC ACID HYDROCHLORIDE
    • MDL: MFCD11520209
    • Inchi: 1S/C12H12F3NO2.ClH/c13-12(14,15)10-4-2-1-3-7(10)8-5-16-6-9(8)11(17)18;/h1-4,8-9,16H,5-6H2,(H,17,18);1H/t8-,9+;/m1./s1
    • InChI Key: YSYNBLMPHGKCFM-RJUBDTSPSA-N
    • SMILES: Cl.FC(C1C=CC=CC=1[C@H]1CNC[C@@H]1C(=O)O)(F)F

Computed Properties

  • Exact Mass: 259.08206
  • Monoisotopic Mass: 295.059
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 2
  • Complexity: 319
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 49.3A^2

Experimental Properties

  • Density: 1.331
  • Boiling Point: 369.8 °C at 760 mmHg
  • Flash Point: 177.4 °C
  • PSA: 49.33
  • LogP: 2.42180

trans-4-(2-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid hydrochloride Security Information

trans-4-(2-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid hydrochloride Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI XIAN DING Biotechnology Co., Ltd.
B-RF812-100mg
trans-4-(2-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid hydrochloride
1049978-59-7 95+%
100mg
1036CNY 2021-05-08
SHANG HAI XIAN DING Biotechnology Co., Ltd.
B-RF812-250mg
trans-4-(2-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid hydrochloride
1049978-59-7 95+%
250mg
2253CNY 2021-05-08
Fluorochem
213029-250mg
trans-4-(2-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid hydrochloride
1049978-59-7 95%
250mg
£168.00 2022-03-01
Fluorochem
213029-1g
trans-4-(2-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid hydrochloride
1049978-59-7 95%
1g
£428.00 2022-03-01
Fluorochem
213029-5g
trans-4-(2-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid hydrochloride
1049978-59-7 95%
5g
£1408.00 2022-03-01
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
T73310-100mg
trans-4-(2-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylicacidhydrochloride
1049978-59-7 95%
100mg
¥846.0 2023-09-06
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
T73310-1g
trans-4-(2-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylicacidhydrochloride
1049978-59-7 95%
1g
¥2769.0 2023-09-06
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
T73310-250mg
trans-4-(2-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylicacidhydrochloride
1049978-59-7 95%
250mg
¥1696.0 2023-09-06
Alichem
A109007717-1g
trans-4-(2-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid hydrochloride
1049978-59-7 95%
1g
$637.20 2023-09-04
Alichem
A109007717-5g
trans-4-(2-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid hydrochloride
1049978-59-7 95%
5g
$2044.35 2023-09-04

Additional information on trans-4-(2-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid hydrochloride

Introduction to trans-4-(2-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid hydrochloride (CAS No. 1049978-59-7)

trans-4-(2-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid hydrochloride, with the CAS number 1049978-59-7, is a specialized chemical compound that has garnered significant attention in the field of pharmaceutical research and development. This compound belongs to the class of pyrrolidine derivatives, which are known for their diverse biological activities and potential therapeutic applications. The presence of a trifluoromethyl group in its molecular structure enhances its pharmacological properties, making it a valuable candidate for further investigation.

The molecular structure of trans-4-(2-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid hydrochloride consists of a pyrrolidine ring substituted with a phenyl group at the 4-position and a trifluoromethyl group at the 2-position of the phenyl ring. The carboxylic acid moiety at the 3-position of the pyrrolidine ring and the hydrochloride salt form contribute to its stability and solubility, which are critical factors in pharmaceutical formulations.

In recent years, there has been a growing interest in pyrrolidine derivatives due to their potential as scaffolds for drug discovery. The trifluoromethyl group, in particular, is known to improve metabolic stability and binding affinity to biological targets. This has led to extensive research on compounds like trans-4-(2-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid hydrochloride, exploring their efficacy in various therapeutic areas.

One of the most promising applications of this compound is in the field of oncology. Studies have shown that pyrrolidine derivatives can exhibit inhibitory effects on kinases and other enzymes involved in cancer cell proliferation. The unique structural features of trans-4-(2-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid hydrochloride, including the presence of the trifluoromethyl group, make it a potent candidate for developing novel anticancer agents. Preliminary research indicates that it may interfere with critical signaling pathways that are essential for tumor growth and survival.

Another area of interest is the potential use of this compound in central nervous system (CNS) disorders. Pyrrolidine derivatives have shown promise in treating neurodegenerative diseases such as Alzheimer's and Parkinson's disease. The ability of trans-4-(2-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid hydrochloride to cross the blood-brain barrier and interact with CNS-specific targets makes it an attractive candidate for further exploration.

The synthesis of trans-4-(2-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid hydrochloride involves multi-step organic reactions, requiring precise control over reaction conditions to ensure high yield and purity. Advanced synthetic methodologies, including transition metal-catalyzed reactions and asymmetric synthesis, have been employed to optimize the production process. These techniques not only enhance efficiency but also allow for the introduction of additional functional groups, expanding the potential applications of the compound.

In terms of pharmacokinetics, trans-4-(2-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid hydrochloride exhibits favorable properties that make it suitable for clinical development. Its hydrochloride salt form improves solubility, which is crucial for oral administration. Additionally, preliminary studies suggest that it has a reasonable bioavailability and moderate half-life, indicating potential for therapeutic efficacy.

The safety profile of this compound is another critical aspect that has been thoroughly evaluated. In vitro and in vivo studies have been conducted to assess its toxicity and potential side effects. These studies have shown that trans-4-(2-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid hydrochloride is well-tolerated at relevant doses, although further research is needed to fully understand its long-term effects.

The future direction of research on trans-4-(2-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid hydrochloride includes exploring its mechanism of action in greater detail and conducting clinical trials to validate its therapeutic potential. Collaborative efforts between academic institutions and pharmaceutical companies are essential to accelerate this process. By leveraging cutting-edge technologies such as high-throughput screening and computational modeling, researchers can identify new applications and optimize drug candidates more efficiently.

In conclusion, trans-4-(2-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid hydrochloride(CAS No. 1049978-59-7) is a promising compound with significant potential in pharmaceutical applications. Its unique structural features, particularly the presence of a trifluoromethyl group, contribute to its biological activity and make it an attractive candidate for further development. With ongoing research and collaboration in the scientific community, this compound has the potential to contribute to advancements in medicine and improve patient outcomes.

Recommended suppliers
Wuhan ChemNorm Biotech Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Wuhan ChemNorm Biotech Co.,Ltd.
Suzhou Genelee Bio-Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Suzhou Genelee Bio-Technology Co., Ltd.
Hubei Cuiyuan Biotechnology Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Hubei Cuiyuan Biotechnology Co.,Ltd
SHOCHEM(SHANGHAI) CO.,lTD
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
SHOCHEM(SHANGHAI) CO.,lTD
Hunan Well Medicine Synthesis Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Hunan Well Medicine Synthesis Technology Co., Ltd.