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Chemical Structure| 18807-74-4 Chemical Structure| 18807-74-4

Structure of 18807-74-4

Chemical Structure| 18807-74-4

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Product Details of [ 18807-74-4 ]

CAS No. :18807-74-4
Formula : C13H21ClN2O2
M.W : 272.77
SMILES Code : NCCCCCNC(OCC1=CC=CC=C1)=O.[H]Cl
MDL No. :MFCD00270152
InChI Key :VYIRBXGDTOPWSY-UHFFFAOYSA-N
Pubchem ID :13196228

Safety of [ 18807-74-4 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of [ 18807-74-4 ]

* 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 [ 18807-74-4 ]

[ 18807-74-4 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 117997-81-6 ]
  • [ 18807-74-4 ]
  • Boc-Glu(OBzl)-NH(CH2)5-NH-Z [ No CAS ]
YieldReaction ConditionsOperation in experiment
94% With 4-methyl-morpholine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; at 0 - 20℃; for 27h; To a solution of <strong>[117997-81-6]Boc-Glu(OBzl)-OH</strong> (0.30 g, 0.90 mmol) and N-Z-1,5-pentanediamine hydrochloride (0.24 g, 0.90 mmol) in DMF (10 mL) at 0 C. were added NMM (0.10 mL, 0.90 mmol), HOBt (0.15 g, 0.99 mmol) and WSC (0.19 g, 0.99 mmol). Z is the protecting group benzyloxycarbonyl. The reaction mixture was stirred for 3 h at 0 C. and for 24 h at room temperature. After DMF was evaporated, the residue was solubilized in EtOAc and washed with citric acid (10%), NaHCO3 (5%), and brine. The organic phase was dried and evaporated to dryness. The residue was crystallized from Et2O/Pe (1:9, v/v): yield 0.47 g (94%); Rf (B) 0.94; HPLC K'=9.15; mp 141-143 C.; [α]20D+20.4; MH+ 556; 1H NMR (DMSO) δ 1.29-1.55 (m, 15 H), 2.18-2.25 (m, 4H), 2.96-3.20 (m, 4H), 4.53-5.34 (m, 5H), 7.11-7.29 (m, 10H).
 

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