L-Prolinamide - ≥98% , CAS No.7531-52-4

CAS: 7531-52-4 Cat. No.: P105976 Peso molecular: 114.15 Beilstein Registry Number: 80807 Número EC: 231-397-0

GRADE & PURITY ≥98%

Synonyms

MFCD00005253 | (S)-proline amide | (2S)-pyrrolidine-2-carboxamide | L-proline amide | (S)-Prolinamide | L-prolinamide | C5H10N2O | h-pro-nh2 | (S)-Pyrrolidine-2-carboxamide | l-Prolineamide | Prolinamide | proline amide | (S)-2-Pyrrolidinecarboxamide

Storage

Room temperature

Shipped In

Normal

Descripción general

Application

It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff. Also it is a efficient organocatalysts for aldol reactions on water.

Specifications

Sinónimos

MFCD00005253 | (S)-proline amide | (2S)-pyrrolidine-2-carboxamide | L-proline amide | (S)-Prolinamide | L-prolinamide | C5H10N2O | h-pro-nh2 | (S)-Pyrrolidine-2-carboxamide | l-Prolineamide | Prolinamide | proline amide | (S)-2-Pyrrolidinecarboxamide

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488187467
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187467
• Sonrisas canónicas: C1CC(NC1)C(=O)N
• IUPAC Name: (2S)-pyrrolidine-2-carboxamide
• InChIKey: VLJNHYLEOZPXFW-BYPYZUCNSA-N
• INCHI: 1S/C5H10N2O/c6-5(8)4-2-1-3-7-4/h4,7H,1-3H2,(H2,6,8)/t4-/m0/s1
• Isómeros SMILES: C1C[C@H](NC1)C(=O)N
• WGK Alemania: 3
• Peso molecular: 114.15
• Beilstein: 80807
• Reaxy-Rn: 80806
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=80806&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrrolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrrolidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidines
• Alternative Parents: Dialkylamines Carboximidic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Pyrrolidine - Azacycle - Secondary amine - Secondary aliphatic amine - Carboximidic acid derivative - Carboximidic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrrolidines. These are compounds containing a pyrrolidine ring, which is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
• External Descriptors: amino acid amide - pyrrolidinecarboxamide - L-proline derivative

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Objetivos asociados (no humanos)

Pseudomonas aeruginosa (123386 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Acinetobacter baumannii (41033 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Insoluble in water, soluble in benzene, ether, soluble in methanol, slightly soluble in ethanol.
• Rotación específica [α]: -106° (C=2,EtOH)
• Punto de ebullición (°C): 307℃
• Punto de fusión (°C): 123℃
• Peso molecular: 114.150 g/mol
• XLogP3: -0.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 114.079 Da
• Monoisotopic Mass: 114.079 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 103.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

1. Xuejiao Yang, Liwei Zhang, Yaoyu Liang, Yuefei Wang, Yuhe Shen, Qiguo Xing, Wei Qi, Pengfei Wang, Xiao Liu, Mengyao Yang, Rongxin Su, Mingxia He, Zhimin He.  (2020)  Self-Assembled Bio-Organometallic Nanocatalysts for Highly Enantioselective Direct Aldol Reactions.  LANGMUIR,      [PMID:33175547] [10.1021/acs.langmuir.0c01485]

2. Junfang Jiang, Xiaoyu Mu, Juan Qiao, Yuan Su, Li Qi.  (2017)  New chiral ligand exchange capillary electrophoresis system with chiral amino amide ionic liquids as ligands.  TALANTA,      [PMID:28842015] [10.1016/j.talanta.2017.07.052]

3. Detao Li, Zichen Ning, Feiqiang He, Zhi Gao, Limin Zhou, Li Xu, Zhijian Zheng, Jerry Heng, Shichao Du, Jinbo Ouyang.  (2025)  Competitive Chiral Cocrystallization Inspired Enantioseparation: Mechanistic Insights into R/S-Mandelic Acid and d/l-Prolinamide.  CRYSTAL GROWTH & DESIGN,      [PMID:] [10.1021/acs.cgd.5c00692]