N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(1S,2S)-2-[(11bS)-3,5-dihydro-4H-dinaphth[2,1-c:1',2'-e]azepin-4-yl]-1,2-diphenylethyl]thiourea


N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(1S,2S)-2-[(11bS)-3,5-dihydro-4H-dinaphth[2,1-c:1',2'-e]azepin-4-yl]-1,2-diphenylethyl]thiourea is a chiral thiourea catalyst that has emerged as an efficient class of organocatalysts due to their unique dual hydrogen-bonding capacity.

Product Information

Canonical SMILES
S=C(NC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)N[C@@H](C2=CC=CC=C2)[C@H](C3=CC=CC=C3)N4CC5=CC=C6C(C=CC=C6)=[C@]5[C@]7=C(C4)C=CC8=CC=CC=C87
Purity
≥98%
Shipping
Room temperature in continental US; may vary elsewhere.
Storage
4°C, protect from light, stored under nitrogen

Safety Information

GHS No
GHS07
Signal Word
Warning
Precautionary Statement
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
Hazard Statements
H302-H315-H319-H335

Physicochemical Properties

Num. rotatable bonds
6
Num. H-bond acceptors
2
Num. H-bond donors
2
TPSA
27.3
LogP
12.4824
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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