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Chemical Structure| 851912-61-3 Chemical Structure| 851912-61-3

Structure of 851912-61-3

Chemical Structure| 851912-61-3

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Product Details of [ 851912-61-3 ]

CAS No. :851912-61-3
Formula : C32H40N2O5
M.W : 532.67
SMILES Code : O=C(N1[C@H](COC(C2=CC=C(OC)C=C2)(C3=CC=C(OC)C=C3)C4=CC=CC=C4)C[C@@H](O)C1)CCCCCN

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Application In Synthesis of [ 851912-61-3 ]

* 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 [ 851912-61-3 ]

[ 851912-61-3 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 851912-61-3 ]
  • [ 120550-35-8 ]
  • C42H54N4O7S [ No CAS ]
YieldReaction ConditionsOperation in experiment
97% With triethylamine; In N,N-dimethyl-formamide; at 25℃; for 0.666667h; Triethylamine (1.7 g,16.8 mmol) was added dropwise under stirring to asolution of amine (XIII) (8.51 g, 16 mmol) in DMF(62 mL). Then, a solution of pentafluorophenyl esterof biotin (6.9 g, 16.8 mmol) in DMF (50 mL) wasadded dropwise for 40 min. The reaction mixture wasleft to stand overnight under stirring after which it wasdiluted with methylene chloride (300 mL) and washedwith water (6 × 500 mL), a saturated NaHCO3 solution(500 mL), and a saturated NaCl solution (500 mL).The mixture was dried over anhydrous sodium sulfate,evaporated to dryness, and chromatographed in a systemof 1% triethylamine in CH2Cl2 using a gradient ofethanol. The product was obtained as pale yellowfoam. Yield: 11.84 g (97%); Rf 0.53 (Et3N-EtOH-CH2Cl2, 1 : 20 : 79); 1H NMR: 7.38-7.30 (m, 2H,ArH), 7.26-7.12 (m, 7H, ArH), 6.86-6.71 (m, 4H,ArH), 6.63-6.54 (br s, 1H, NHCONH), 5.94-5.84(br s, 1H, NHCONH), 4.54-4.47 (m, 1H, CHNH),4.47-4.38 (br s, 1H, OH), 4.38-4.31 (m, 1H,CHNH), 4.27-4.12 (m, 1H, CHOH), 3.75 (s, 3H,OCH3), 3.73 (s, 3H, OCH3), 3.63-3.58 (br s, 1H,NHCH2), 3.54-3.46 (m, 2H, DMTr-OCH2), 3.43-3.37 (m, 1H, NCH), 3.25-3.12 (m, 2H, CH2NH),3.12-3.04 (m, 3H, SCH, NCH2), 2.85-2.77 (m, 1H,SCHaHb), 2.74-2.64 (m, 1H, SCHaHb), 2.40-2.31 (m, 1H, CHCHaHbCH), 2.25-2.10 (m, 4H, NCOCH2,HNCOCH2), 2.10-1.94 (m, 1H, CHCHaHbCH),1.77-1.53 (m, 6H, SCHCH2CH2CH2, CH2CH2NH),1.53-1.47 (m, 2H, NCOCH2CH2), 1.47-1.31 (m, 4H,NCOCH2CH2CH2, SCHCH2CH2); 13C NMR: 173.59(NHCOCH2), 172.94 (0.3C, NCOCH2, minR),172.36 (0.7C, NCOCH2, majR), 163.95 (NHCONH),158.30 (2C), 145.06, 136.27, 136.13, 129.94 (4C),128.03 (2C), 127.70 (2C), 126.66 (C), 113.12 (Ar3CO),112.88 (4C), 85.64 (CH2O-DMTr), 69.98 (CHOH),63.35 (NCH2), 63.03 (CHNH), 61.64 (CHNH), 60.07(SCH), 55.22 (NCH), 55.17 (2C, OCH3), 45.79(SCH2), 38.65 (CH2NH), 35.74 (NCOCH2), 34.72(CHCH2CH), 33.05 (HNCOCH2), 28.88 (HNCOCH2CH2),28.72 (CH2CHS), 27.96 (CH2CH2NH),26.28 (NCOCH2CH2), 25.68 (HNCOCH2CH2CH2),24.00 (NCOCH2CH2CH2); IR: 3385.4, 3284.9,2924.6, 2854.7, 1702.7, 1630.9, 1608.6 , 1508.7,1444.5, 1301.4, 1248.9, 1174.6, 1155.8, 1068.8, 1029.4,583.1.
 

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