1,2-Bis((2R,5R)-2,5-di-i-propylphospholano)ethane - ≥96% , CAS No.136705-63-0

CAS: 136705-63-0 Cat. No.: B282239 Molecular Weight: 370.53 EC Number: 814-336-8

GRADE & PURITY ≥96%

Synonyms

J-006888 | DTXSID201144734 | Phospholane, 1,1'-(1,2-ethanediyl)bis[2,5-bis(1-methylethyl)-, (2R,2'R,5R,5'R)- | MFCD08705243 | 1,2-Bis[(2S,5S)-2,5-diisopropylphospholano]ethane, kanata purity | 1,2-Bis[(2S,5S)-2,5-diisopropylphospholano]ethane | (2R,2'R,5R

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

J-006888 | DTXSID201144734 | Phospholane, 1, 1'-(1, 2-ethanediyl)bis[2, 5-bis(1-methylethyl)-, (2R, 2'R, 5R, 5'R)- | MFCD08705243 | 1, 2-Bis[(2S, 5S)-2, 5-diisopropylphospholano]ethane, kanata purity | 1, 2-Bis[(2S, 5S)-2, 5-diisopropylphospholano]ethane | (2R, 2'R, 5R

Specifications & Purity

≥96%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥96%

Names and Identifiers

• Canonical Smiles: CC(C)C1CCC(P1CCP2C(CCC2C(C)C)C(C)C)C(C)C
• IUPAC Name: (2R,5R)-1-[2-[(2R,5R)-2,5-di(propan-2-yl)phospholan-1-yl]ethyl]-2,5-di(propan-2-yl)phospholane
• InChIKey: IRVIFEWWPYKALC-GXRSIYKFSA-N
• INCHI: 1S/C22H44P2/c1-15(2)19-9-10-20(16(3)4)23(19)13-14-24-21(17(5)6)11-12-22(24)18(7)8/h15-22H,9-14H2,1-8H3/t19-,20-,21-,22-/m1/s1
• Isomeric SMILES: CC(C)[C@H]1CC[C@@H](P1CCP2[C@H](CC[C@@H]2C(C)C)C(C)C)C(C)C
• WGK Germany: 3
• Molecular Weight: 370.53
• Reaxy-Rn: 50319707
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=50319707&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 Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Phospholane - Phosphine - Phosphacycle - 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
• Molecular Weight: 370.500 g/mol
• XLogP3: 6.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 7
• Exact Mass: 370.292 Da
• Monoisotopic Mass: 370.292 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 306.000
• 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