1-N-Boc-Pyrrolidin-2-ylboronic acid(Contains varying amounts of anhydride) - ≥97% , CAS No.149682-75-7

CAS: 149682-75-7 Cat. No.: N191054 Molecular Weight: 215.06

GRADE & PURITY ≥97%

Synonyms

SCHEMBL4606763 | SY039722 | UIIUYLRUCQCTST-UHFFFAOYSA-N | BCP21345 | AM84455 | MFCD02183523 | DS-12270 | 1-(tert-butoxycarbonyl)pyrrolidin-2-ylboronicacid;1-N-Boc-Pyrrolidin-2-ylboronic acid | 1-N-Boc-pyrrolidin-2-ylboronicacid | AB11497 | (1-tert-butoxyc

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

SCHEMBL4606763 | SY039722 | UIIUYLRUCQCTST-UHFFFAOYSA-N | BCP21345 | AM84455 | MFCD02183523 | DS-12270 | 1-(tert-butoxycarbonyl)pyrrolidin-2-ylboronicacid;1-N-Boc-Pyrrolidin-2-ylboronic acid | 1-N-Boc-pyrrolidin-2-ylboronicacid | AB11497 | (1-tert-butoxyc

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: B(C1CCCN1C(=O)OC(C)(C)C)(O)O
• IUPAC Name: [1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]boronic acid
• InChIKey: UIIUYLRUCQCTST-UHFFFAOYSA-N
• INCHI: 1S/C9H18BNO4/c1-9(2,3)15-8(12)11-6-4-5-7(11)10(13)14/h7,13-14H,4-6H2,1-3H3
• Isomeric SMILES: B(C1CCCN1C(=O)OC(C)(C)C)(O)O
• Molecular Weight: 215.06
• Reaxy-Rn: 11131964
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11131964&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolidines
      • Subclass Pyrrolidine carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolidines
• Subclass: Pyrrolidine carboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidine carboxylic acids
• Alternative Parents: Carbamate esters Organic carbonic acids and derivatives Boronic acids Organic metalloid salts Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Monoalkylboranes Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Pyrrolidine carboxylic acid - Carbamic acid ester - Boronic acid derivative - Boronic acid - Carbonic acid derivative - Organic metalloid salt - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic salt - Organopnictogen compound - Alkylborane - Organooxygen compound - Organonitrogen compound - Organoboron compound - Monoalkylborane - Carbonyl group - Organic oxygen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrrolidine carboxylic acids. These are compounds containing a pyrrolidine ring which bears a carboxylic acid. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
• External Descriptors: Not available

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

Chemical and Physical Properties

• Molecular Weight: 215.060 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 215.133 Da
• Monoisotopic Mass: 215.133 Da
• Topological Polar Surface Area: 70.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 239.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

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