ChemicalBook--->CAS DataBase List--->1316861-19-4

1316861-19-4

1316861-19-4 Structure

1316861-19-4 Structure
IdentificationBack Directory
[Name]

Resolving Agent HBTM-R
[CAS]

1316861-19-4
[Synonyms]

Resolving Agent HBTM-R
(2R)-3,4-Dihydro-2-phenyl-2H-pyrimido[2,1-b]benzothiazole
(R)-2-Phenyl-3,4-dihydro-2h-benzo[4,5]thiazolo[3,2-a]pyrimidine
(2R)-2-Phenyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole >=95%
[Molecular Formula]

C16H14N2S
[MDL Number]

MFCD26793803
[MOL File]

1316861-19-4.mol
[Molecular Weight]

266.36
Chemical PropertiesBack Directory
[Melting point ]

145-147°C
[Boiling point ]

443.9±48.0 °C(Predicted)
[density ]

1.29±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[form ]

powder or chunks
[pka]

7.37±0.40(Predicted)
[Appearance]

White to light yellow Solid
[Optical Rotation]

Consistent with structure
[InChI]

1S/C16H14N2S/c1-2-6-12(7-3-1)13-10-11-18-14-8-4-5-9-15(14)19-16(18)17-13/h1-9,13H,10-11H2/t13-/m1/s1
[InChIKey]

ZMYZJAQMQBHNLH-CYBMUJFWSA-N
[SMILES]

C12=CC=CC=C1SC3=N[C@@H](C4=CC=CC=C4)CCN23
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P264-P270-P301+P312-P330-P501
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

This chiral isothiourea homobenzotetramisole ((R)-HBTM) developed by the Birman lab is an organocatalyst that has been used for kinetic resolution, determination of absolute configuration, and nucleophile-catalysed, Michael–aldol-b-lactonization (NCMAL). This same product was previously listed as L511730, and the complementary (S)-HBTM organocatalyst (900542) is also available.
Spectrum DetailBack Directory
[Spectrum Detail]

Resolving Agent HBTM-R(1316861-19-4)1HNMR
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