(2S)-3,3-DIMETHYL-2-[[(1R,2R)-2-(2-METHYL-5-PHENYL-1-PYRROLYL)CYCLOHEXYL]THIOUREIDO]-N,N-BIS(2-ISOBUTYL)BUTANAMIDE

CAS No.
764650-97-7
CCD No.
CCD00949213
Formula
C32 H50 N4 O S
MolWeight
538.84

Basic Information

Product Name: (2S)-3,3-DIMETHYL-2-[[(1R,2R)-2-(2-METHYL-5-PHENYL-1-PYRROLYL)CYCLOHEXYL]THIOUREIDO]-N,N-BIS(2-ISOBUTYL)BUTANAMIDE
CAS: 764650-97-7
English Synonyms: (2S)-3,3-DIMETHYL-2-[[(1R,2R)-2-(2-METHYL-5-PHENYL-1-PYRROLYL)CYCLOHEXYL]THIOUREIDO]-N,N-BIS(2-ISOBUTYL)BUTANAMIDE ; (2S)-3,3-DIMETHYL-2-[[[[(1R,2R)-2-(2-METHYL-5-PHENYL-1H-PYRROL-1-YL)CYCLOHEXYL]AMINO]THIOXOMETHYL]AMINO]-N,N-BIS(2-METHYLPROPYL)BUTANAMIDE
MDL Number.: MFCD10567032
H bond acceptor: 5
H bond donor: 2
Smile: Cc1ccc(n1[C@@H]2CCCC[C@H]2NC(=S)N[C@H](C(=O)N(CC(C)C)CC(C)C)C(C)(C)C)c3ccccc3
InChi: InChI=1S/C32H50N4OS/c1-22(2)20-35(21-23(3)4)30(37)29(32(6,7)8)34-31(38)33-26-16-12-13-17-28(26)36-24(5)18-19-27(36)25-14-10-9-11-15-25/h9-11,14-15,18-19,22-23,26,28-29H,12-13,16-17,20-21H2,1-8H3,(H2,33,34,38)/t26-,28-,29-/m1/s1
InChiKey: InChIKey=RIAIKFUBJYQDBD-CRXYYGHGSA-N

Property

Melting Point: 143-147 DEG C
Comments: APPLICATION: CATALYST FOR ACYL-PICTET-SPENGLER AND ACYL-MANNICH REACTIONS
OPTICAL ACTIVITY: [ALPHA]22/D -3 DEG, C = 1 IN CHLOROFORM
PROTOCOLS AND APPLICATIONS: ASYMMETRIC STRECKER REACTIONS USING JACOBSEN THIOUREAS
UNSPSC: 12352100
WGK: 3

Safety information

Symbol: GHS07 GHS07
Signal word: Warning
Hazard statements: H315-H319-H335
Precautionary statements: P261-P305 + P351 + P338
hazard symbol: Xi
Risk Code: R:36/37/38
Safe Code: S:26-36/37
WGK Germany: 3

* If the product has intellectual property rights, a license granted is must or contact us.