(S)-3,3′-Bis(2,4,6-triisopropylphenyl)-1,1′-binaphthyl-2,2′-diyl hydrogenphosphate CAS#: 874948-63-7; 凯望编码 (ChemWhat Code): 1261232

IdentificationPhysical DataSpectra
Route of SynthesisSafety and HazardsOther Data

Identification

英文名(S)-3,3′-Bis(2,4,6-triisopropylphenyl)-1,1′-binaphthyl-2,2′-diyl hydrogenphosphate
IUPAC Name13-hydroxy-10,16-bis[2,4,6-tri(propan-2-yl)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
分子结构
CAS编号 874948-63-7
MDL NumberMFCD10567009
别名(11bS)-4-Hydroxy-2,6-bis[2,4,6-tris(1-methylethyl)phenyl]dinaphtho[2,1-d:1′,2′-f]-1,3,2-dioxaphosphepin 4-oxide, (S)-3,3′-Bis(2,4,6-triisopropylphenyl)-1,1′-bi-2-naphthol cyclic monophosphate, (S)-TRIP
分子式C50H57O4P
分子量752.974
InChIInChI=1S/C50H57O4P/c1-27(2)35-23-39(29(5)6)45(40(24-35)30(7)8)43-21-33-17-13-15-19-37(33)47-48-38-20-16-14-18-34(38)22-44(50(48)54-55(51,52)53-49(43)47)46-41(31(9)10)25-36(28(3)4)26-42(46)32(11)12/h13-32H,1-12H3,(H,51,52)
InChI KeyAGQAQYPGJDBIQR-UHFFFAOYSA-N
Canonical SMILESCC(C)C1=CC(=C(C(=C1)C(C)C)C2=CC3=CC=CC=C3C4=C2OP(=O)(OC5=C4C6=CC=CC=C6C=C5C7=C(C=C(C=C7C(C)C)C(C)C)C(C)C)O)C(C)C

Physical Data

AppearanceWhite to brown solid

Spectra

Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)Solvents (NMR Spectroscopy)Temperature (NMR Spectroscopy), °C Frequency (NMR Spectroscopy), MHz
Chemical shifts1H
(S)-3,3′-Bis(2,4,6-triisopropylphenyl)-1,1′-binaphthyl-2,2′-diyl hydrogenphosphate CAS#: 874948-63-7 HNMR(S)-TRIP CAS 874948-63-7

Route of Synthesis

Route of Synthesis (ROS) of (S)-3,3′-Bis(2,4,6-triisopropylphenyl)-1,1′-binaphthyl-2,2′-diyl hydrogenphosphate CAS 874948-63-7
Route of Synthesis (ROS) of (S)-3,3′-Bis(2,4,6-triisopropylphenyl)-1,1′-binaphthyl-2,2′-diyl hydrogenphosphate CAS 874948-63-7
Conditions Yield
In toluene at 65°C; not isolated;

Safety and Hazards

Pictogram(s)exclamation-mark
SignalWarning
GHS Hazard StatementsH315: Causes skin irritation [Warning Skin corrosion/irritation]
H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335: May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
For more detailed information, please visit ECHA C&L website
Precautionary Statement Codes P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
(The corresponding statement to each P-code can be found at the GHS Classification page.)
Source: European Chemicals Agency (ECHA)
License Note: Use of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: “Source: European Chemicals Agency, http://echa.europa.eu/”. Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.
License URL: https://echa.europa.eu/web/guest/legal-notice
Record Name: (R)-3,3′-Bis(2,4,6-trisopropylphenyl)-1,1′-binapthyl-2,2′-diyl hydrogenphosphate
URL: https://echa.europa.eu/information-on-chemicals/cl-inventory-database/-/discli/details/248511
Description: The information provided here is aggregated from the “Notified classification and labelling” from ECHA’s C&L Inventory. Read more: https://echa.europa.eu/information-on-chemicals/cl-inventory-database

Other Data

TransportationNot dangerous goods
Under room temperature for shipment
HS Code294200
StorageUnder refrigerated for long time and filled with nitrogen.
Shelf Life1 year
Market PriceUSD 88/g
Use Pattern
Pharmaceutical intermediate
Versatile organocatalyst. Uses include asymmetric reductive amination, enantioselective Diels-Alder reactions and asymmetric counteranion-directed catalysis (ACDC). Can be used in cooperation with chiral iridium complexes to catalyze greener asymmetric reductive amination using hydrogen gas.

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