(3R,3''R,4S,4''S,11bS,11''bS)-(+)-4,4''-Di-t-butyl-4,4'',5,5''-tetrahydro-3,3''-bi-3H-dinaphtho[2,1-c:1'',2''-e]phosphepin - ≥95% , CAS No.528854-26-4

CAS: 528854-26-4 Cat. No.: R281963 Molecular Weight: 734.89 PubChem CID: 66557332

GRADE & PURITY ≥95%

Synonyms

MFCD34577803 | SCHEMBL14054463 | (12S)-13-tert-butyl-12-[(12S)-13-tert-butyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-12-yl]-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,1

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

MFCD34577803 | SCHEMBL14054463 | (12S)-13-tert-butyl-12-[(12S)-13-tert-butyl-13-phosphapentacyclo[13.8.0.02, 11.03, 8.018, 23]tricosa-1(15), 2(11), 3, 5, 7, 9, 16, 18, 20, 22-decaen-12-yl]-13-phosphapentacyclo[13.8.0.02, 11.03, 8.018, 23]tricosa-1(15), 2(11), 3, 5, 7, 9, 16, 1

Specifications & Purity

≥95%

Legal Information

Sold in collaboration with Chiral Quest for research purposes only. US Patent No. 7105702, 7153809, 7169953.

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CC(C)(C)P1CC2=C(C3=CC=CC=C3C=C2)C4=C(C1C5C6=C(C7=CC=CC=C7C=C6)C8=C(CP5C(C)(C)C)C=CC9=CC=CC=C98)C=CC1=CC=CC=C14
• IUPAC Name: (12S)-13-tert-butyl-12-[(12S)-13-tert-butyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-12-yl]-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
• InChIKey: YXMFQIWDFKIXGQ-KUSQLHRJSA-N
• INCHI: 1S/C52H48P2/c1-51(2,3)53-31-37-25-23-33-15-7-11-19-39(33)45(37)47-41-21-13-9-17-35(41)27-29-43(47)49(53)50-44-30-28-36-18-10-14-22-42(36)48(44)46-38(32-54(50)52(4,5)6)26-24-34-16-8-12-20-40(34)46/h7-30,49-50H,31-32H2,1-6H3/t49-,50-,53?,54?/m0/s1
• Isomeric SMILES: CC(C)(C)P1CC2=C(C3=CC=CC=C3C=C2)C4=C([C@H]1[C@@H]5C6=C(C7=CC=CC=C7C=C6)C8=C(CP5C(C)(C)C)C=CC9=CC=CC=C98)C=CC1=CC=CC=C14
• WGK Germany: 3
• PubChem CID: 66557332
• Molecular Weight: 734.89

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Organic phosphines and derivatives Phosphacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Naphthalene - Phosphine - Phosphacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organophosphorus compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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;Moisture sensitive