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Chemical Structure| 33375-06-3 Chemical Structure| 33375-06-3

Structure of 33375-06-3

Chemical Structure| 33375-06-3

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Product Details of [ 33375-06-3 ]

CAS No. :33375-06-3
Formula : C9H9NO
M.W : 147.17
SMILES Code : C[C@H](C1=CC=CC=C1)N=C=O
MDL No. :MFCD00063015
InChI Key :JJSCUXAFAJEQGB-MRVPVSSYSA-N
Pubchem ID :7018262

Safety of [ 33375-06-3 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H301-H311-H315-H319-H335
Precautionary Statements:P233-P260-P261-P264-P270-P271-P280-P301+P310-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P322-P330-P332+P313-P337+P313-P340-P361-P362-P363-P403-P403+P233-P405-P501
Class:6.1
UN#:2206
Packing Group:

Application In Synthesis of [ 33375-06-3 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 33375-06-3 ]

[ 33375-06-3 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 33375-06-3 ]
  • [ 301225-58-1 ]
  • 4-[3-(1-phenyl-ethyl)-1-propyl-ureido]-piperidine-1-carboxylic acid <i>tert</i>-butyl ester [ No CAS ]
  • 2
  • [ 30235-28-0 ]
  • [ 33375-06-3 ]
  • [ 1342276-85-0 ]
YieldReaction ConditionsOperation in experiment
54% In 1-methyl-pyrrolidin-2-one; at 150℃; for 0.333333h; COMPOUND lah(R)-l-(l-Phenylethyl)-3-(4-(pyridin-4-yl)thiazol-2-yl)urea. This was prepared from 3a (0.126 g, 0.711 mmol) and (R)-(+)-alpha-methylbenzyl isocyanate (0.209 g, 1.42 mmol) in the same manner as described for laa. Chromatography on silica gel performed twice using the FlashMaster 3 purification station, afforded lah as a white solid (0.125 g, 0.385 mmol, 54%). 1H NMR (400 MHz, DMSO-d6) delta 10.51 (s, 1H), 8.56 (d, J= 5.8 Hz, 2H), 7.80 (s, 1H), 7.76 (d, J= 6.0 Hz, 2H), 7.36-7.31 (m, 4H), 7.26-7.24 (m, 1H), 7.02 (d, J = 7.7 Hz, 1H), 4.84 (quint, J= 7.3 Hz, 1H), 1.40 (d, J= 6.9 Hz, 6H); 13C NMR (400 MHz, DMSO-d6) delta 160.80, 153.72, 150.84, 146.77, 145.01, 141.64, 129.14, 127.61, 126.47, 120.48, 1 1 1.71 , 49.71 , 23.54; HPLC purity 99.22% {tR = 7.907 min, Flow lml/min,[(CH3CN/(0.1% TFA in H2O):30/70] ; purity 99.51% {tR = 8.653 min, Flow lml/min, [(MeOH/(0.1% TFA in H2O):50/50] ; HRMS (ESI +ve) m z calculated for C17H17N4OS (M + H)+ 3251 1 17, found 325.1 1 16.The enantiomeric excess was determined by HPLC using a Chiralcel OJ column[(/so-propanol/Hexane:50/50), Flow lml/min], tRi = 9.067 min, Area %> 0.404 (minor), 14.300 min, Area % 98.378 (major).
 

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