(3aR,8aR)-(-)-(2,2-Dimethyl-4,4,8,8-tetraphenyl-tetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl)dimethylamine - ≥98% , CAS No.213843-90-4

CAS: 213843-90-4 Cat. No.: T359409 Molecular Weight: 539.6

GRADE & PURITY ≥98%

Synonyms

CID 11145951 | (3aR,8aR)-N,N,2,2-tetramethyl-4,4,8,8-tetraphenyl-3a,8a-dihydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-amine | (3aR,8aR)-N,N,2,2-Tetramethyl-4,4,8,8-tetraphenyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-amine | (R,R)-TADDOL

Storage

Room temperature

Specifications

Synonyms

CID 11145951 | (3aR, 8aR)-N, N, 2, 2-tetramethyl-4, 4, 8, 8-tetraphenyl-3a, 8a-dihydro-[1, 3]dioxolo[4, 5-e][1, 3, 2]dioxaphosphepin-6-amine | (3aR, 8aR)-N, N, 2, 2-Tetramethyl-4, 4, 8, 8-tetraphenyltetrahydro-[1, 3]dioxolo[4, 5-e][1, 3, 2]dioxaphosphepin-6-amine | (R, R)-TADDOL

Specifications & Purity

≥98%

Storage

Room temperature

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488197219
• Canonical Smiles: CC1(OC2C(O1)C(OP(OC2(C3=CC=CC=C3)C4=CC=CC=C4)N(C)C)(C5=CC=CC=C5)C6=CC=CC=C6)C
• IUPAC Name: (3aR,8aR)-N,N,2,2-tetramethyl-4,4,8,8-tetraphenyl-3a,8a-dihydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-amine
• InChIKey: DRPNADVMTMEWQY-LOYHVIPDSA-N
• INCHI: 1S/C33H34NO4P/c1-31(2)35-29-30(36-31)33(27-21-13-7-14-22-27,28-23-15-8-16-24-28)38-39(34(3)4)37-32(29,25-17-9-5-10-18-25)26-19-11-6-12-20-26/h5-24,29-30H,1-4H3/t29-,30-/m1/s1
• Isomeric SMILES: CC1(O[C@@H]2[C@@H](O1)C(OP(OC2(C3=CC=CC=C3)C4=CC=CC=C4)N(C)C)(C5=CC=CC=C5)C6=CC=CC=C6)C
• WGK Germany: 3
• Molecular Weight: 539.6
• Reaxy-Rn: 23113831
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23113831&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Ketals 1,3-dioxolanes Oxacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Diphenylmethane - Ketal - Meta-dioxolane - Oxacycle - Organoheterocyclic compound - Acetal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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: 539.600 g/mol
• XLogP3: 6.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 539.223 Da
• Monoisotopic Mass: 539.223 Da
• Topological Polar Surface Area: 40.200 Ų
• Heavy Atom Count: 39
• Formal Charge: 0
• Complexity: 700.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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