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(S)-2-[[3,5-Bis(trifluoromethyl)phenyl]thioureido]-N-benzyl-N,3,3-trimethylbutanamide

(S)-2-[[3,5-Bis(trifluoromethyl)phenyl]thioureido]-N-benzyl-N,3,3-trimethylbutanamide - CAS 959979-30-7

(S)-2-[[3,5-Bis(trifluoromethyl)phenyl]thioureido]-N-benzyl-N,3,3-trimethylbutanamide is a chiral thiourea catalyst that has emerged as an efficient class of organocatalysts due to their unique dual hydrogen-bonding capacity.

Catalog Number

959979-30-7

CAS

959979-30-7

IUPAC Name

(2S)-N-benzyl-2-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]-N,3,3-trimethylbutanamide

Synonyms

(2S)-2-[[[[3,5-Bis(trifluoromethyl)phenyl]amino]thioxomethyl]amino]-N-3,3-trimethyl-N-(phenylmethyl)butanamide

Molecular Weight

505.52

Molecular Formula

C23H25F6N3OS

Product Information

Canonical SMILES

CN(Cc1ccccc1)C(=O)[C@@H](NC(=S)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(C)(C)C

InChI

InChI=1S/C23H25F6N3OS/c1-21(2,3)18(19(33)32(4)13-14-8-6-5-7-9-14)31-20(34)30-17-11-15(22(24,25)26)10-16(12-17)23(27,28)29/h5-12,18H,13H2,1-4H3,(H2,30,31,34)/t18-/m1/s1

InChI Key

LTFFYVVCUVYZPE-GOSISDBHSA-N

Purity

97%

MDL

MFCD10567031

Storage

Inert atmosphere. Keep cold.

Melting Point

147-152 °C

Optical Activity

-57.0°( c = 1 in chloroform)

WGK Germany

Safety Information

Signal Word

Warning

Precautionary Statement

P261 - P280 - P305+P351+P338

Hazard Statements

H302 - H312 - H315 - H319 - H335 - H413

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(S)-2-[[3,5-Bis(trifluoromethyl)phenyl]thioureido]-N-benzyl-N,3,3-trimethylbutanamide - CAS 959979-30-7

Product Information

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