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[ CAS No. 42105-98-6 ] {[proInfo.proName]}

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Chemical Structure| 42105-98-6
Chemical Structure| 42105-98-6
Structure of 42105-98-6 * Storage: {[proInfo.prStorage]}
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Product Details of [ 42105-98-6 ]

CAS No. :42105-98-6 MDL No. :MFCD06208488
Formula : C4H7NO3 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 117.10 Pubchem ID :-
Synonyms :

Safety of [ 42105-98-6 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280-P305+P351+P338 UN#:N/A
Hazard Statements:H317-H319 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 42105-98-6 ]

* 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 [ 42105-98-6 ]

[ 42105-98-6 ] Synthesis Path-Downstream   1~7

  • 1
  • [ 67-56-1 ]
  • [ 42105-98-6 ]
  • [ 76311-95-0 ]
YieldReaction ConditionsOperation in experiment
With sulfuric acid In water for 84h; Yield given;
  • 2
  • [ 2033-24-1 ]
  • [ 74-89-5 ]
  • [ 42105-98-6 ]
YieldReaction ConditionsOperation in experiment
In water for 52h;
  • 3
  • [ 4279-77-0 ]
  • [ 74-89-5 ]
  • [ 42105-98-6 ]
YieldReaction ConditionsOperation in experiment
With ethylenediaminetetraacetic acid; potassium chloride; water In acetonitrile at 25℃;
YieldReaction ConditionsOperation in experiment
at 34℃; for Acid-Catalyzed proton Exchange;
YieldReaction ConditionsOperation in experiment
2,2-Difluoro-1-methyl-4-oxo-3-(trifluormethyl)-3-azetidin-carbonylfluorid (IV, R=CH3), cc. H2SO4 (S.102);
VI (R=CH3) (/BRN= 80185/), Saeure-Hydrolyse (S.102);
  • 6
  • [ 42105-98-6 ]
  • (R)-N-methyl-N-(5-azaspiro[2.4]heptan-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine [ No CAS ]
  • (R)-N-methyl-3-(7-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)-5-azaspiro[2.4]heptan-5-yl)-3-oxopropanamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Stage #1: 3-(methylamino)-3-oxopropanoic acid With N-ethyl-N,N-diisopropylamine; dicyclohexyl-carbodiimide In N,N-dimethyl-formamide for 0.25h; Stage #2: (R)-N-methyl-N-(5-azaspiro[2.4]heptan-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine In N,N-dimethyl-formamide Reflux;
  • 7
  • [ 42105-98-6 ]
  • heptadecan-9-yl 8-((3-aminopropyl)(8-oxo-8-(undecan-3-yloxy)octyl)amino)octanoate [ No CAS ]
  • heptadecan-9-yl 8-((3-(2-(methylcarbamoyl)acetamido)propyl)(8-oxo-8-(undecan-3-yloxy)octyl)amino)octanoate [ No CAS ]
YieldReaction ConditionsOperation in experiment
69% With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 96h; 1.AC AC. Compound 17: Heptadecan-9-yl 8-({3-[2-(methylcarbamoyl)acetamido]propyl}[8- oxo-8-(undecan-3-yloxy)octyl]amino)octanoate To solution of heptadecan-9-yl 8-((3-aminopropyl)(8-oxo-8-(undecan-3- yloxy)octyl)amino)octanoate (200 mg, 0.27 mmol) and malonic acid monomethyl amide (33 mg, 0.7 mmol) in 5 mL dry DCM was added 4-(dimethylamino)pyridine (DMAP; 3 mg, 0.03 mmol) followed by 1-ethyl-3-(3-dimethylaminopropyl)carbodiimide hydrochloride (EDC- HCl) (78 mg, 0.4 mmol) and finally N,N-diisopropylethylamine (DIEA; 200 uL, 1.1 mmol). The resulting colorless mixture was stirred at room temp for four days. The solution was diluted with DCM, washed once with a saturated aqueous sodium bicarbonate solution, dried (Na2SO4), filtered and the filtrate conc. to a pale yellow oil. This was purified by silica gel chromatography (100% DCM going to 100% 80:20:1 DCM/MeOH/ammonium hydroxide) to give heptadecan-9-yl 8-((3-(2-(methylcarbamoyl)acetamido)propyl)(8-oxo-8-(undecan-3- yloxy)octyl)amino)octanoate (165 mg, 0.18 mmol, 69%) as a colorless syrup. UPLC/ELSD: RT = 3.03 min. MS (ES): m/z (MH+) 850.85 for C51H99N3O6. 1H NMR (300 MHz, CDCl3) d: ppm 8.13 (t, 1H, J = 3.8 Hz); 7.48 (br s, 1H); 4.83 (m, 2H); 3.34 (q, 2H, J = 11.3 Hz, 5.6 Hz); 3.10 (s, 2H); 2.82 (d, 3H, J = 4.8 Hz); 2.54 (br s, 2H); 2.40 (br s, 3H); 2.28 (td, 4H, J = 7.4 Hz, 3Hz); 1.77-1.38 (m, 19H); 1.37-1.12 (m, 48H); 0.94-0.81 (m, 12H).
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