(11bR)-4-Hydroxy-2,6-bis[4-(trifluoromethyl)phenyl]-4-oxide-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin, 95%, (99% ee)

CAS

791616-59-6

Catalog Number

ACM791616596

Category

Other Products

Molecular Weight

636.486g/mol

Molecular Formula

C34H19F6O4P;

MSDS COA Spec Sheet

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Specification

Synonyms

CS-0090551; (11bS)-4-Hydroxy-2,6-bis(4-(trifluoromethyl)phenyl)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine 4-oxide; (11bR)-4-Hydroxy-2,6-bis[4-(trifluoromethyl)phenyl]-4-oxide-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin, 95%, (99% ee); 3,3'-Di(p-trifluoromethylphenyl)-2,2'-(phosphinicobisoxy)-1,1'-binaphthalene; (aS)-4-Hydroxy-2,6-bis[4-(trifluoromethyl)phenyl]dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin 4-oxide; 2,6-Bis[4-(trifluoromethyl)phenyl]-4-hydroxydinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin 4-oxide; MFCD17676196;

IUPAC Name

13-hydroxy-10,16-bis[4-(trifluoromethyl)phenyl]-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide;

Canonical SMILES

C1=CC=C2C(=C1)C=C(C3=C2C4=C(C(=CC5=CC=CC=C54)C6=CC=C(C=C6)C(F)(F)F)OP(=O)(O3)O)C7=CC=C(C=C7)C(F)(F)F;

InChI

InChI=1S/C34H19F6O4P/c35-33(36,37)23-13-9-19(10-14-23)27-17-21-5-1-3-7-25(21)29-30-26-8-4-2-6-22(26)18-28(32(30)44-45(41,42)43-31(27)29)20-11-15-24(16-12-20)34(38,39)40/h1-18H,(H,41,42);

InChI Key

WTTAZMHSXLJOIR-UHFFFAOYSA-N;

Complexity

1000

Covalently-Bonded Unit Count

Exact Mass

636.093g/mol

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

Monoisotopic Mass

636.093g/mol

Rotatable Bond Count

Topological Polar Surface Area

55.8A^2

April 6, 2023

Efficient chiral catalyst
As a modified binaphthylphosphonate derivative, (11bR)-4-Hydroxy-2,6-bis[4-(trifluoromethyl)phenyl]-4-oxide-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin, 95%, (99% ee) has an important application in catalytic experiments.

What is the Molecular formula of (11bR)-4-Hydroxy-2,6-bis[4-(trifluoromethyl)phenyl]-4-oxide-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin, 95%, (99% ee)?

C34H19F6O4P

What is the Molecular weight of (11bR)-4-Hydroxy-2,6-bis[4-(trifluoromethyl)phenyl]-4-oxide-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin, 95%, (99% ee)?

636.48

What is the MDL number of (11bR)-4-Hydroxy-2,6-bis[4-(trifluoromethyl)phenyl]-4-oxide-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin, 95%, (99% ee)?

MFCD09265079

What is the InChIKey of (11bR)-4-Hydroxy-2,6-bis[4-(trifluoromethyl)phenyl]-4-oxide-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin, 95%, (99% ee)?

BDQOCXQVIFQJRK-UHFFFAOYSA-N

What is the SMILES of (11bR)-4-Hydroxy-2,6-bis[4-(trifluoromethyl)phenyl]-4-oxide-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin, 95%, (99% ee)?

C1=CC=C2C(=C1)C=C(C3=C2C4=C(C(=CC5=CC=CC=C54)C6=CC=C(C=C6)C(F)(F)F)OP(=O)(O3)O)C7=CC=C(C=C7)C(F)(F)F

What is the Form of (11bR)-4-Hydroxy-2,6-bis[4-(trifluoromethyl)phenyl]-4-oxide-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin, 95%, (99% ee)?

Powder, white to light-yellow

What is the Melting point of (11bR)-4-Hydroxy-2,6-bis[4-(trifluoromethyl)phenyl]-4-oxide-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin, 95%, (99% ee)?

329-335℃

What is the Storage condition of (11bR)-4-Hydroxy-2,6-bis[4-(trifluoromethyl)phenyl]-4-oxide-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin, 95%, (99% ee)?

Handle and store under inert gas, tightly closed and dry condition.

What is the Optical rotation of (11bR)-4-Hydroxy-2,6-bis[4-(trifluoromethyl)phenyl]-4-oxide-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin, 95%, (99% ee)?

[α]22/D -197°, c=1 in chloroform