(+)-1,2-Bis((2R,5R)-2,5-dimethylphospholano)ethane - ≥97% , CAS No.129648-07-3

CAS: 129648-07-3 Cat. No.: B281824 Molecular Weight: 258.33 EC Number: 621-511-0

GRADE & PURITY ≥97%

Synonyms

Me-bpe, (R,R)- | MFCD01073770 | 1LS1AFH1F1 | (R,R)-Me-bpe, (+)- | B5985 | (+)-1,2-Bis((2R,5R)-2,5-(dimethylphospholan-1-yl))ethane | (+)-1,2-Bis[(2R,5R)-2,5-dimethylphospholano]ethane, kanata purity | 1,2-Bis[(2R,5R)-2,5-dimethylphospholano]ethane | IRCDU

Storage

Argon charged,Room temperature

Specifications

Synonyms

Me-bpe, (R, R)- | MFCD01073770 | 1LS1AFH1F1 | (R, R)-Me-bpe, (+)- | B5985 | (+)-1, 2-Bis((2R, 5R)-2, 5-(dimethylphospholan-1-yl))ethane | (+)-1, 2-Bis[(2R, 5R)-2, 5-dimethylphospholano]ethane, kanata purity | 1, 2-Bis[(2R, 5R)-2, 5-dimethylphospholano]ethane | IRCDU

Specifications & Purity

≥97%

Storage

Argon charged, Room temperature

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC1CCC(P1CCP2C(CCC2C)C)C
• IUPAC Name: (2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]ethyl]-2,5-dimethylphospholane
• InChIKey: IRCDUOCGSIGEAI-AAVRWANBSA-N
• INCHI: 1S/C14H28P2/c1-11-5-6-12(2)15(11)9-10-16-13(3)7-8-14(16)4/h11-14H,5-10H2,1-4H3/t11-,12-,13-,14-/m1/s1
• Isomeric SMILES: C[C@@H]1CC[C@H](P1CCP2[C@@H](CC[C@H]2C)C)C
• Molecular Weight: 258.33
• Reaxy-Rn: 13659297
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13659297&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Metalloheterocyclic compounds
      • Subclass Phospholanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Metalloheterocyclic compounds
• Subclass: Phospholanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phospholanes
• Alternative Parents: Organic phosphines and derivatives Phosphacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Phospholane - Phosphine - Phosphacycle - Organopnictogen compound - Hydrocarbon derivative - Organophosphorus compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phospholanes. These are compounds containing a phospholane ring, which is a five-member saturated aliphatic heterocycle with one phosphorus 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

• Sensitivity: air sensitive
• Refractive Index: 1.53
• Specific Rotation[α]: 262° (C=1,Hexane)
• Flash Point(°C): 162 °C
• Boil Point(°C): 64-67°C/0.06mm
• Molecular Weight: 258.320 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 258.167 Da
• Monoisotopic Mass: 258.167 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 185.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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