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[ CAS No. 485800-27-9 ]

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2D
Chemical Structure| 485800-27-9
Chemical Structure| 485800-27-9
Structure of 485800-27-9 *Storage: {[proInfo.prStorage]}

Quality Control of [ 485800-27-9 ]

Purity: {[proInfo.showProBatch.pb_purity]}

Related Doc. of [ 485800-27-9 ]

SDS

Product Details of [ 485800-27-9 ]

CAS No. :485800-27-9MDL No. :MFCD19443373
Formula :C10H19NO4S2Boiling Point :-
Linear Structure Formula :-InChI Key :N/A
M.W :281.39Pubchem ID :53386354
Synonyms :

Computed Properties of [ 485800-27-9 ]

TPSA : - H-Bond Acceptor Count : -
XLogP3 : - H-Bond Donor Count : -
SP3 : - Rotatable Bond Count : -

Safety of [ 485800-27-9 ]

Signal Word:WarningClassN/A
Precautionary Statements:P261-P305 P351 P338UN#:N/A
Hazard Statements:H302-H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 485800-27-9 ]

  • Downstream synthetic route of [ 485800-27-9 ]

[ 485800-27-9 ] Synthesis Path-Downstream   1~10

  • 1
  • [ 67385-09-5 ]
  • [ 107-96-0 ]
  • [ 485800-27-9 ]
YieldReaction ConditionsOperation in experiment
70% In dimethyl sulfoxide; at 70℃; for 24h;Inert atmosphere; 3-(2-tert-Butoxycarbonylamino-ethyldisulfanyl)-propionic acid (0149) (0150) To a solution of L1 (75 mL, 424.0 mmol) in DMSO (133.5 mL) was added L2 (41.17 mL, 424.0 mmol) and the reaction mixture was then heated at 70 C for 24 hr. The reaction progress was monitored by LCMS. The reaction mixture was cooled and ethyl acetate (EtOAc) (400 mL) was added with stirring and then extracted with 1M HEPES (pH 7.0, 2× 400 mL) and the aqueous layer was discarded (di-acid). The organic layer was then extracted with saturated NaHCO3 (3× 300 mL), The combined aqueous layer was then acidified with 3M HCl to pH 1-2 and extracted with EtOAc (3x 300 mL). The organic layer was dried (Na2SO4) and solvent was evaporated to give compound L3 (81 g, 70% yield, white powder). Compound L3 was characterized by LCMS and 1H NMR (dmso-d6) and was stored at -78 C to avoid decomposition.
  • 2
  • [ 485800-27-9 ]
  • 2-(2-(2-(5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl)pentanoylamino)ethoxy)ethoxy)ethylammonium 2,2,2-trifluoroacetate [ No CAS ]
  • C26H47N5O7S3 [ No CAS ]
YieldReaction ConditionsOperation in experiment
45% With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In 1,4-dioxane; at 20℃; for 24h; Compound 16: Sodium bicarbonate (233 mg, 2.77 mmol),and di-tert-butyl dicarbonate (590 mg, 2.70 mmol) wereadded to a solution of 3-(2-aminoethyldisulfanyl)propanoicacid (220 mg, 1.21mmol) in water (2 mL) and THF (2 mL).The reaction mixture was stirred for 24 h at room temperature and then lyophilized toremove water. The residualresidue was purified by flash column chromatography eluting with n-hexane/ethyl acetate/acetic acid (40:10:1 to10:10:1, v/v/v) to produce compound 15 (40%). HRMS(ESI): [M+H]+calculated for C10H19NO4S2: m/z= 281.0755;found: m/z= 281.0763.To a solution of compound 5(25.5 mg, 0.0522 mmol) in1,4-dioxane (2 mL) were added compound 15(14.7 mg,0.0522 mmol), HATU (60 mg, 0.153 mmol) and diisopropylethylamine (26 mg, 0.201mmol). The reaction mixturewas stirred for 24 h at room temperature, and 1,4-dioxanewas then removed. The resulting residue was purified byflash column chromatography eluting with methylene chloride/methanol (20:1 to 4:1, v/v) to afford compound 16 (45%).HRMS (ESI): [M+H]+calculated for C26H47N5O7S3: m/z=638.2716; found: m/z= 638.2745
  • 4
  • [ 485800-27-9 ]
  • [ 811442-78-1 ]
  • 5
  • [ 24424-99-5 ]
  • [ 15579-00-7 ]
  • [ 485800-27-9 ]
YieldReaction ConditionsOperation in experiment
40% With sodium hydrogencarbonate; In tetrahydrofuran; water; at 20℃; for 24h; Compound 16: Sodium bicarbonate (233 mg, 2.77 mmol),and di-tert-butyl dicarbonate (590 mg, 2.70 mmol) wereadded to a solution of 3-(2-aminoethyldisulfanyl)propanoicacid (220 mg, 1.21mmol) in water (2 mL) and THF (2 mL).The reaction mixture was stirred for 24 h at room temperature and then lyophilized toremove water. The residualresidue was purified by flash column chromatography eluting with n-hexane/ethyl acetate/acetic acid (40:10:1 to10:10:1, v/v/v) to produce compound 15 (40%). HRMS(ESI): [M+H]+calculated for C10H19NO4S2: m/z= 281.0755;found: m/z= 281.0763.To a solution of compound 5(25.5 mg, 0.0522 mmol) in1,4-dioxane (2 mL) were added compound 15(14.7 mg,0.0522 mmol), HATU (60 mg, 0.153 mmol) and diisopropylethylamine (26 mg, 0.201mmol). The reaction mixturewas stirred for 24 h at room temperature, and 1,4-dioxanewas then removed. The resulting residue was purified byflash column chromatography eluting with methylene chloride/methanol (20:1 to 4:1, v/v) to afford compound 16 (45%).HRMS (ESI): [M+H]+calculated for C26H47N5O7S3: m/z=638.2716; found: m/z= 638.2745
  • 6
  • [ 68617-64-1 ]
  • [ 67385-09-5 ]
  • [ 485800-27-9 ]
  • 7
  • [ 67385-10-8 ]
  • [ 107-96-0 ]
  • [ 485800-27-9 ]
  • 8
  • [ 24424-99-5 ]
  • [ 485800-27-9 ]
  • 9
  • [ 769-39-1 ]
  • [ 485800-27-9 ]
  • [ 1301262-95-2 ]
  • 10
  • [ 485800-27-9 ]
  • tert-butyl 2-((3-oxo-3-(phenethylamino)propyl)disulfanyl)-ethylcarbamate*TFA [ No CAS ]
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