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- (S,S,S)-(3,5-Dioxa-4-phosphacyclohepta[2,1-a:3,4-a']dinaphthalen-4-yl)bis(1-phenylethyl)amine
(S,S,S)-(3,5-Dioxa-4-phosphacyclohepta[2,1-a:3,4-a']dinaphthalen-4-yl)bis(1-phenylethyl)amine
PRICE INQUIRYCatalog Number
ACM209482279-2
Product Name
(S,S,S)-(3,5-Dioxa-4-phosphacyclohepta[2,1-a:3,4-a']dinaphthalen-4-yl)bis(1-phenylethyl)amine
CAS
209482-27-9 / 380230-02-4
Synonyms
(11bS)-N,N-Bis[(1S)-1-phenylethyl]dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine
IUPAC Name
N,N-bis(1-phenylethyl)-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-amine
Molecular Weight
539.60
Molecular Formula
C36H30NO2P
Canonical SMILES
CC(C1=CC=CC=C1)N(C(C)C2=CC=CC=C2)P3OC4=C(C5=CC=CC=C5C=C4)C6=C(O3)C=CC7=CC=CC=C76;
InChI
LKZPDRCMCSBQFN-UHFFFAOYSA-N
InChI Key
InChI=1S/C36H30NO2P/c1-25(27-13-5-3-6-14-27)37(26(2)28-15-7-4-8-16-28)40-38-33-23-21-29-17-9-11-19-31(29)35(33)36-32-20-12-10-18-30(32)22-24-34(36)39-40/h3-26H,1-2H3
Boiling Point
710.7±63.0 °C(Predicted)
Purity
98%+
Appearance
Solid
Complexity
747
Covalently-Bonded Unit Count
1
Exact Mass
539.201g/mol
H-Bond Acceptor
3
Heavy Atom Count
40
Isomeric SMILES
CC(C1=CC=CC=C1)N(C(C)C2=CC=CC=C2)P3OC4=C(C5=CC=CC=C5C=C4)C6=C(O3)C=CC7=CC=CC=C76
Monoisotopic Mass
539.201g/mol
Rotatable Bond Count
5
Topological Polar Surface Area
29.5A^2
Undefined Atom Stereocenter Count
2
Application
(S,S,S)-(3,5-Dioxa-4-phosphacyclohepta[2,1-a:3,4-a']dinaphthalen-4-yl)bis(1-phenylethyl)amine serves as a reagent utilized in the stereoselective synthesis of fulvestrant, which is a medication intended for the treatment of breast cancer in postmenopausal women.
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- 209482-27-9 / 380230-02-4
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- 98%+
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