(S)-(+)-(3,5-Dioxa-4-phospha-cyclohepta[2,1-a;3,4-a'']dinaphthalen-4-yl)morpholine - ≥96%,≥99%(ee) , CAS No.185449-81-4

CAS: 185449-81-4 Cat. No.: S281989 Molecular Weight: 401.41 PubChem CID: 11704056

Synonyms

(R)-4-(DINAPHTHO[2,1-D:1',2'-F][1,3,2]DIOXAPHOSPHEPIN-4-YL)MORPHOLINE | E78668 | SCHEMBL15422409 | F52256 | 4-[(11bR)-Dinaphtho[2,1-d:1 inverted exclamation mark ,2 inverted exclamation mark -f][1,3,2]dioxaphosphepin-4-yl]morpholine | (S)-(+)-(3,5-Dioxa-4

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

(R)-4-(DINAPHTHO[2, 1-D:1', 2'-F][1, 3, 2]DIOXAPHOSPHEPIN-4-YL)MORPHOLINE | E78668 | SCHEMBL15422409 | F52256 | 4-[(11bR)-Dinaphtho[2, 1-d:1 inverted exclamation mark , 2 inverted exclamation mark -f][1, 3, 2]dioxaphosphepin-4-yl]morpholine | (S)-(+)-(3, 5-Dioxa-4

Specifications & Purity

≥96%, ≥99%(ee)

Legal Information

Sold in collaboration with DSM for research purposes only. Patent WO 0204466. DSM''s MonoPhos™ Ligand Kit component.", 'Stability:': 'moisture sensitive

Storage

Argon charged, Room temperature

Shipped In

Normal

Names and Identifiers

• Pubchem Sid: 488197671
• Canonical Smiles: C1COCCN1P2OC3=C(C4=CC=CC=C4C=C3)C5=C(O2)C=CC6=CC=CC=C65
• IUPAC Name: 4-(12,14-dioxa-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-13-yl)morpholine
• InChIKey: XUJAXBFFTHRXLV-UHFFFAOYSA-N
• INCHI: 1S/C24H20NO3P/c1-3-7-19-17(5-1)9-11-21-23(19)24-20-8-4-2-6-18(20)10-12-22(24)28-29(27-21)25-13-15-26-16-14-25/h1-12H,13-16H2
• Isomeric SMILES: C1COCCN1P2OC3=C(C4=CC=CC=C4C=C3)C5=C(O2)C=CC6=CC=CC=C65
• PubChem CID: 11704056
• Molecular Weight: 401.41

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: Morpholines Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Naphthalene - Morpholine - Oxazinane - Heteroaromatic compound - Dialkyl ether - Ether - Organoheterocyclic compound - Azacycle - Oxacycle - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - 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: moisture sensitive
• Molecular Weight: 401.400 g/mol
• XLogP3: 5.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 401.118 Da
• Monoisotopic Mass: 401.118 Da
• Topological Polar Surface Area: 38.800 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 530.000
• 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