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Home Other Building Blocks (+)-Benzotetramisole

(+)-Benzotetramisole

CAS No.:
885051-07-0
Catalog Number:
AG003BCC
Molecular Formula:
C15H12N2S
Molecular Weight:
252.3342
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Product Description
Catalog Number:
AG003BCC
Chemical Name:
(+)-Benzotetramisole
CAS Number:
885051-07-0
Molecular Formula:
C15H12N2S
Molecular Weight:
252.3342
MDL Number:
MFCD11112169
IUPAC Name:
(2R)-2-phenyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole
InChI:
InChI=1S/C15H12N2S/c1-2-6-11(7-3-1)12-10-17-13-8-4-5-9-14(13)18-15(17)16-12/h1-9,12H,10H2/t12-/m0/s1
InChI Key:
YGCWPCVAVSIFLO-LBPRGKRZSA-N
SMILES:
c1ccc(cc1)[C@H]1N=c2n(C1)c1c(s2)cccc1
Properties
Complexity:
348  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
252.072g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.335g/mol
Monoisotopic Mass:
252.072g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
Origin of enantioselectivity in benzotetramisole-catalyzed dynamic kinetic resolution of azlactones. Organic letters 20120706
Kinetic resolution of α-substituted alkanoic acids promoted by homobenzotetramisole. Chemistry (Weinheim an der Bergstrasse, Germany) 20110926
Kinetic resolution of N-acyl-β-lactams via benzotetramisole-catalyzed enantioselective alcoholysis. Journal of the American Chemical Society 20110907
Kinetic resolution of racemic alpha-arylalkanoic acids with achiral alcohols via the asymmetric esterification using carboxylic anhydrides and acyl-transfer catalysts. Journal of the American Chemical Society 20100825
Benzotetramisole-catalyzed dynamic kinetic resolution of azlactones. Organic letters 20100219
Homobenzotetramisole: an effective catalyst for kinetic resolution of aryl-cycloalkanols. Organic letters 20080320
Kinetic resolution of propargylic alcohols catalyzed by benzotetramisole. Organic letters 20061012
Benzotetramisole: a remarkably enantioselective acyl transfer catalyst. Organic letters 20060330
Properties