Basic Information |
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| 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 |
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| 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 |
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| Symbol: |
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 |
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