(11bR)-(–)-4,4-Dibutyl-4,5-dihydro-2,6-bis(3,4,5-trifluorophenyl)-3H-dinaphth[2,1-c:1′,2′-e]azepinium bromide - Nagase purity , CAS No.887938-70-7

CAS: 887938-70-7 Cat. No.: B485986 Molecular Weight: 748.64 EC Number: 806-328-8
AVAILABLE TO ORDER
GRADE & PURITY Nagase purity
Synonyms
(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 | (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 | (11bS)-4,4-Dibutyl-4,5-dihydro-2,6-b
Storage
Room temperature
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Size
Status
Price
Qty
50mg
B485986-50mg
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Why this grade

Nagase purity for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Description

Potent phase transfer organocatalyst for asymmetric α-alkylation of glycine derivatives at extremely low loadings.

Specifications

Synonyms
(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 | (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 | (11bS)-4, 4-Dibutyl-4, 5-dihydro-2, 6-b
Specifications & Purity
Nagase purity
Legal Information
Nagase & Co. Ltd. 产品
Storage
Room temperature
Names and Identifiers
Canonical SmilesCCCC[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-]
IUPAC Name13,13-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
InChIKeyLOMUZNOWQYZTRP-UHFFFAOYSA-M
INCHI1S/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
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-]
WGK Germany 3
Molecular Weight 748.64
Reaxy-Rn 23187641
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23187641&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassNaphthalenes
SubclassPhenylnaphthalenes
Intermediate Tree Nodes Not available
Direct ParentPhenylnaphthalenes
Alternative Parents Benzazepines  Fluorobenzenes  Azepines  Aralkylamines  Aryl fluorides  Tetraalkylammonium salts  Azacyclic compounds  Organofluorides  Organic bromide salts  Hydrocarbon derivatives  Organic cations  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Phenylnaphthalene - Benzazepine - Azepine - Aralkylamine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Tetraalkylammonium salt - Quaternary ammonium salt - Azacycle - Organoheterocyclic compound - Organohalogen compound - Organic salt - Organic bromide salt - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organic cation - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phenylnaphthalenes. These are compounds containing a phenylnaphthalene skeleton, which consists of a naphthalene bound to a phenyl group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight748.600 g/mol
XLogP3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass747.194 Da
Monoisotopic Mass747.194 Da
Topological Polar Surface Area0.000 Ų
Heavy Atom Count50
Formal Charge0
Complexity968.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count2
Solution Calculators
Reviews

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