Cyclopropylboronic acid MIDA ester - ≥97% , CAS No.1104637-36-6

CAS: 1104637-36-6 Cat. No.: C165909 Formule: C₈H₁₂BNO₄ Poids moléculaire: 197 Numéro CE: 959-478-2

GRADE & PURITY ≥97%

Synonyms

1104637-36-6|2-Cyclopropyl-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione|Cyclopropylboronic acid MIDA ester|Cyclopropylboronic acid methyliminodiacetic acid anhydride|MFCD11215247|DTXSID90657623|LLXFTRDFBQZFSN-UHFFFAOYSA-N|AKOS016004295|AC-33871|AS-55780|Cyc

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

1104637-36-6 | 2-Cyclopropyl-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione | Cyclopropylboronic acid MIDA ester | Cyclopropylboronic acid methyliminodiacetic acid anhydride | MFCD11215247 | DTXSID90657623 | LLXFTRDFBQZFSN-UHFFFAOYSA-N | AKOS016004295 | AC-33871 | AS-55780 | Cyc

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

Pubchem Sid

504770279

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504770279

Sourires canoniques

B1(OC(=O)CN(CC(=O)O1)C)C2CC2

IUPAC Name

2-cyclopropyl-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione

InChIKey

LLXFTRDFBQZFSN-UHFFFAOYSA-N

INCHI

1S/C8H12BNO4/c1-10-4-7(11)13-9(6-2-3-6)14-8(12)5-10/h6H,2-5H2,1H3

Isomères SMILES

B1(OC(=O)CN(CC(=O)O1)C)C2CC2

WGK Allemagne

3

Poids moléculaire

197

Reaxy-Rn

26700105

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26700105&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Dicarboxylic acids and derivatives Trialkylamines Boronic acid derivatives Oxacyclic compounds Organic metalloid salts Azacyclic compounds Organic oxides Monoalkylboranes Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - Dicarboxylic acid or derivatives - Boronic acid derivative - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Azacycle - Organic metalloid salt - Organoheterocyclic compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Organic oxygen compound - Carbonyl group - Organic oxide - Alkylborane - Monoalkylborane - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• 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

Propriétés chimiques et physiques

• Point de fusion (°C): 183-193℃
• Poids moléculaire: 197.000 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 197.086 Da
• Monoisotopic Mass: 197.086 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 246.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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

XLogP3

Foire aux questions

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1104637-36-6, the molecular formula is C8H12BNO4, and the molecular weight is 197 g/mol. InChIKey LLXFTRDFBQZFSN-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.