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

CAS

851942-89-7

Catalog Number

ACM851942897

Category

Other Products

Molecular Weight

748.651g/mol

Molecular Formula

C42H36BrF6N;

MSDS COA Spec Sheet

If you have any other questions or need other size, please get a quote.

Specification

Synonyms

MFCD09264271; (S)-4,4-DIBUTYL-2,6-BIS(3,4,5-TRIFLUOROPHENYL)-4,5-DIHYDRO-3H-DINAPHTHO[7,6,1,2-CDE]AZEPINIUM BROMIDE; 887938-70-7; (S)-4,4-Dibutyl-2,6-bis(3,4,5-trifluorophenyl)-4,5-dihydro-3H-dinaphtho[2,1-c:1',2'-e]azepin-4-ium bromide; (11bR)-(-)-4,4-Dibutyl-4,5-dihydro-2,6-bis(3,4,5-trifluorophenyl)-3H-dinaphth[2,1-c:1 inverted exclamation marka,2 inverted exclamation marka-e]azepinium bromide; (11bS)-(+)-4,4-Dibutyl-4,5-dihydro-2,6-bis(3,4,5-trifluorophenyl)-3H-dinaphth[2,1-c;

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;

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

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;

InChI Key

LOMUZNOWQYZTRP-UHFFFAOYSA-M;

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

Exact Mass

747.194g/mol

H-Bond Acceptor

Heavy Atom Count

Monoisotopic Mass

747.194g/mol

Rotatable Bond Count

Topological Polar Surface Area

0A^2

March 7, 2023

An asymmetric catalyst
(11bS)-4,4-Dibutyl-2,6-bis(3,4,5-trifluorophenyl)-4,5-dihydro-3H-dinaphtho[2,1-c:1',2'-e]azepinium bromide can catalyze and synthesize chiral amino acid derivatives with high selectivity.

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

C42H36BrF6N

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

748.64

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

MFCD09264271

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

LOMUZNOWQYZTRP-UHFFFAOYSA-M

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

CCCC[N+]1(CCCC)Cc2c(cc3ccccc3c2-c4c(C1)c(cc5ccccc45)-c6cc(F)c(F)c(F)c6)-c7cc(F)c(F)c(F)c7

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

Powder, brown

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

224-229℃

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

Keep the container airtight and store in a dry, ventilated place. Store in a cool place.