(11bR)-4,4-Dibutyl-2,6-bis(3,4,5-trifluorophenyl)-4,5-dihydro-3H-dinaphtho[2,1-c:1',2'-e]azepinium bromide

Catalog Number	ACM887938707-1
CAS	887938-70-7
Synonyms	(R)-4,4-Dibutyl-2,6-Bis(3,4,5-Trifluorophenyl)-4,5-Dihydro-3H-Dinaphtho[7,6,1,2-Cde]Azepinium Bromide
IUPAC Name	13,13-dibutyl-10,16-bis(3,4,5-trifluorophenyl)-13-azoniapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;bromide
Molecular Weight	748.64
Molecular Formula	C42H36BrF6N
Canonical SMILES	CCCC[N+]1(CC2=C(C3=CC=CC=C3C=C2C4=CC(=C(C(=C4)F)F)F)C5=C(C1)C(=CC6=CC=CC=C65)C7=CC(=C(C(=C7)F)F)F)CCCC.[Br-];
InChI	LOMUZNOWQYZTRP-UHFFFAOYSA-M
InChI Key	InChI=1S/C42H36F6N.BrH/c1-3-5-15-49(16-6-4-2)23-33-31(27-19-35(43)41(47)36(44)20-27)17-25-11-7-9-13-29(25)39(33)40-30-14-10-8-12-26(30)18-32(34(40)24-49)28-21-37(45)42(48)38(46)22-28;/h7-14,17-22H,3-6,15-16,23-24H2,1-2H3;1H/q+1;/p-1
Melting Point	223-228 °C
Purity	98%
Appearance	Solid
Application	2nd Generation Maruoka chiral phase transfer catalyst, for enantioselective alkylation of α-amino acid derivatives, that is easily recovered for recycle by extraction with fluorous solvent. Catalyst for asymmetric conjugate addition of α-substituted-α-cyanoacetates to α,β-unsaturated acetylenic esters. Phase transfer catalyzed enantioselective α-alkylation. Asymmetric amination of β-keto esters. Diastereo- and enantioselective conjugate addition of α-substituted nitroacetates to maleimides. Cyclization of β-alkynyl hydrazines.
Complexity	968
Covalently-Bonded Unit Count	2
Exact Mass	747.194g/mol
Heavy Atom Count	50
Isomeric SMILES	CCCC[N+]1(CC2=C(C3=CC=CC=C3C=C2C4=CC(=C(C(=C4)F)F)F)C5=C(C1)C(=CC6=CC=CC=C65)C7=CC(=C(C(=C7)F)F)F)CCCC.[Br-]
Monoisotopic Mass	747.194g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	0A^2

Q&A

What is the molecular weight of (11bR)-4,4-Dibutyl-2,6-bis(3,4,5-trifluorophenyl)-4,5-dihydro-3H-dinaphtho[2,1-c:1',2'-e]azepinium bromide?

The molecular weight of (11bR)-4,4-Dibutyl-2,6-bis(3,4,5-trifluorophenyl)-4,5-dihydro-3H-dinaphtho[2,1-c:1',2'-e]azepinium bromide is 748.6363592.

What are the product categories of (11bR)-4,4-Dibutyl-2,6-bis(3,4,5-trifluorophenyl)-4,5-dihydro-3H-dinaphtho[2,1-c:1',2'-e]azepinium bromide?

The product categories of (11bR)-4,4-Dibutyl-2,6-bis(3,4,5-trifluorophenyl)-4,5-dihydro-3H-dinaphtho[2,1-c:1',2'-e]azepinium bromide are Asymmetric Synthesis, Chiral Catalysts, Ligands, and Reagents, and Phase Transfer Reaction.

What is the product name of (11bR)-4,4-Dibutyl-2,6-bis(3,4,5-trifluorophenyl)-4,5-dihydro-3H-dinaphtho[2,1-c:1',2'-e]azepinium bromide?

The product name of (11bR)-4,4-Dibutyl-2,6-bis(3,4,5-trifluorophenyl)-4,5-dihydro-3H-dinaphtho[2,1-c:1',2'-e]azepinium bromide is (R)-4,4-DIBUTYL-2,6-BIS(3,4,5-TRIFLUOROPHENYL)-4,5-DIHYDRO-3H-DINAPHTHO[7,6,1,2-CDE]AZEPINIUM BROMIDE.

What is the synonym of (11bR)-4,4-Dibutyl-2,6-bis(3,4,5-trifluorophenyl)-4,5-dihydro-3H-dinaphtho[2,1-c:1',2'-e]azepinium bromide?

One synonym of (11bR)-4,4-Dibutyl-2,6-bis(3,4,5-trifluorophenyl)-4,5-dihydro-3H-dinaphtho[2,1-c:1',2'-e]azepinium bromide is (11bR)-4,4-Dibutyl-2,6-bis(3,4,5-trifluorophenyl)-4,5-dihydro-3H-dinaphtho[2,1-c:1',2'-e]azepinium bromide.

What is the melting point of (11bR)-4,4-Dibutyl-2,6-bis(3,4,5-trifluorophenyl)-4,5-dihydro-3H-dinaphtho[2,1-c:1',2'-e]azepinium bromide?

The melting point of (11bR)-4,4-Dibutyl-2,6-bis(3,4,5-trifluorophenyl)-4,5-dihydro-3H-dinaphtho[2,1-c:1',2'-e]azepinium bromide is 223-228 °C.

In what form does (11bR)-4,4-Dibutyl-2,6-bis(3,4,5-trifluorophenyl)-4,5-dihydro-3H-dinaphtho[2,1-c:1',2'-e]azepinium bromide exist?

The compound exists in the form of a powder.

What are the hazard codes associated with (11bR)-4,4-Dibutyl-2,6-bis(3,4,5-trifluorophenyl)-4,5-dihydro-3H-dinaphtho[2,1-c:1',2'-e]azepinium bromide?

The hazard code associated with (11bR)-4,4-Dibutyl-2,6-bis(3,4,5-trifluorophenyl)-4,5-dihydro-3H-dinaphtho[2,1-c:1',2'-e]azepinium bromide is Xi.

What is the safety statement for (11bR)-4,4-Dibutyl-2,6-bis(3,4,5-trifluorophenyl)-4,5-dihydro-3H-dinaphtho[2,1-c:1',2'-e]azepinium bromide?

The safety statement for (11bR)-4,4-Dibutyl-2,6-bis(3,4,5-trifluorophenyl)-4,5-dihydro-3H-dinaphtho[2,1-c:1',2'-e]azepinium bromide is 26.

What is the reaction involving (11bR)-4,4-Dibutyl-2,6-bis(3,4,5-trifluorophenyl)-4,5-dihydro-3H-dinaphtho[2,1-c:1',2'-e]azepinium bromide?

The compound is used as a second-generation Maruoka chiral phase transfer catalyst for enantioselective alkylation of α-amino acid derivatives.

What is one of the uses of (11bR)-4,4-Dibutyl-2,6-bis(3,4,5-trifluorophenyl)-4,5-dihydro-3H-dinaphtho[2,1-c:1',2'-e]azepinium bromide?

The compound is a potent phase transfer organocatalyst for asymmetric α-alkylation of glycine derivatives at extremely low loadings.