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[ CAS No. 3918-94-3 ] {[proInfo.proName]}

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Chemical Structure| 3918-94-3
Chemical Structure| 3918-94-3
Structure of 3918-94-3 * Storage: {[proInfo.prStorage]}
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Product Details of [ 3918-94-3 ]

CAS No. :3918-94-3 MDL No. :MFCD00026463
Formula : C10H20N2O3 Boiling Point : -
Linear Structure Formula :- InChI Key :KRNYOVHEKOBTEF-YUMQZZPRSA-N
M.W : 216.28 Pubchem ID :107475
Synonyms :
Val-val
Chemical Name :L-Valyl-L-valine

Safety of [ 3918-94-3 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 3918-94-3 ]

* 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 [ 3918-94-3 ]

[ 3918-94-3 ] Synthesis Path-Downstream   1~51

  • 2
  • <i>N</i>-(<i>N</i>,<i>N</i>-phthaloyl-L-valyl)-L-valine [ No CAS ]
  • [ 3918-94-3 ]
YieldReaction ConditionsOperation in experiment
With hydrogenchloride; acetone
With ethanol; hydrazine hydrate
  • 4
  • [ 26993-93-1 ]
  • [ 3918-94-3 ]
YieldReaction ConditionsOperation in experiment
With hydrogen
  • 5
  • [ 40719-51-5 ]
  • [ 3918-94-3 ]
YieldReaction ConditionsOperation in experiment
With hydrogenchloride; hydrogen
  • 6
  • (S)-3-Methyl-2-((S)-3-methyl-2-phenoxycarbonylamino-butyrylamino)-butyric acid [ No CAS ]
  • [ 3918-94-3 ]
YieldReaction ConditionsOperation in experiment
With hydrogen In methanol
  • 7
  • [ 3918-94-3 ]
  • [ 19943-16-9 ]
YieldReaction ConditionsOperation in experiment
72% With silica gel In gas at 190 - 210℃;
  • 8
  • (N-tert-butoxycarbonyl-L-valyl)-L-valine [ No CAS ]
  • [ 3918-94-3 ]
YieldReaction ConditionsOperation in experiment
100% With water at 170℃; for 0.05h; Microwave irradiation;
With ammonium hydroxide; trifluoroacetic acid Multistep reaction;
With trifluoroacetic acid In dichloromethane for 2h;
  • 9
  • [ 101222-19-9 ]
  • [ 3918-94-3 ]
YieldReaction ConditionsOperation in experiment
With hydrogen In water; acetic acid; <i>tert</i>-butyl alcohol Yield given;
  • 10
  • [ 3918-94-3 ]
  • [ 79-04-9 ]
  • [ 132847-83-7 ]
YieldReaction ConditionsOperation in experiment
90% With sodium hydroxide at 5℃;
  • 11
  • [ 3918-94-3 ]
  • [ 501-53-1 ]
  • [ 19542-54-2 ]
YieldReaction ConditionsOperation in experiment
85%
85% With sodium carbonate In 1,4-dioxane; water at 20℃; for 18h;
  • 12
  • [ 3918-94-3 ]
  • [ 110661-49-9 ]
  • undecylenyl-L-valine-L-valine [ No CAS ]
YieldReaction ConditionsOperation in experiment
82% With sodium hydrogencarbonate In tetrahydrofuran; water for 16h; Ambient temperature;
  • 13
  • [ 77443-49-3 ]
  • [ 3918-94-3 ]
YieldReaction ConditionsOperation in experiment
With hydrogen fluoride at 0℃;
  • 14
  • [ 3918-94-3 ]
  • N-chlorovalylvaline [ No CAS ]
YieldReaction ConditionsOperation in experiment
With sodium hypochlorite In phosphate buffer for 0.166667h;
With sodium hypochlorite In various solvent(s) for 0.166667h;
  • 15
  • N-chlorovalylvaline [ No CAS ]
  • [ 3918-94-3 ]
YieldReaction ConditionsOperation in experiment
With sulfite(2-) In various solvent(s) at 25℃; UV-irradiation;
  • 17
  • [ 3918-94-3 ]
  • [ 1521-38-6 ]
  • [ 408349-28-0 ]
YieldReaction ConditionsOperation in experiment
994 mg With sodium hydroxide; 1-hydroxy-pyrrolidine-2,5-dione; dicyclohexyl-carbodiimide In 1,4-dioxane at 0 - 20℃;
  • 18
  • [ 3918-94-3 ]
  • [ 402958-46-7 ]
  • [ 402958-47-8 ]
YieldReaction ConditionsOperation in experiment
91% With N-ethyl-N,N-diisopropylamine
  • 19
  • [ 41445-88-9 ]
  • [ 3918-94-3 ]
YieldReaction ConditionsOperation in experiment
Stage #1: Z-Val-OCO2iBu; (S)-Val ester salt With 4-methyl-morpholine In dichloromethane at -15 - 20℃; Stage #2: With hydrogen In methanol for 24h; Further stages.;
  • 20
  • [ 1149-26-4 ]
  • [ 3918-94-3 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1.1: N-methylmorpholine / CH2Cl2 / 0.33 h / -15 °C 2.1: N-methylmorpholine / CH2Cl2 / -15 - 20 °C 2.2: H2 / Pd/C / methanol / 24 h / 4654.46 Torr
Multi-step reaction with 3 steps 1: N-methyl morpholine / CH2Cl2 / 0.33 h / -15 °C 2: N-methyl morpholine / CH2Cl2 / -15 - 20 °C 3: H2 / Pd/C / methanol / 24 h / 4654.33 Torr
Multi-step reaction with 3 steps 1: N-methylmorpholine / CH2Cl2 / 0.33 h / -15 °C 2: N-methylmorpholine / CH2Cl2 / 1 h / -15 °C 3: H2 / Pd/C / methanol / 24 h / 4654.33 Torr
Multi-step reaction with 2 steps 1: Et3N, DCC 2: H2 / Pd
Multi-step reaction with 2 steps 1: DCC 2: (hydrogenolysis)

  • 21
  • [ 41445-88-9 ]
  • [ 3918-94-3 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: N-methyl morpholine / CH2Cl2 / -15 - 20 °C 2: H2 / Pd/C / methanol / 24 h / 4654.33 Torr
Multi-step reaction with 2 steps 1: N-methylmorpholine / CH2Cl2 / 1 h / -15 °C 2: H2 / Pd/C / methanol / 24 h / 4654.33 Torr
  • 22
  • [ 3918-94-3 ]
  • [ 135219-44-2 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: 85 percent / Na2CO3 / H2O; dioxane / 18 h / 20 °C 2.1: H2 / Pd/C / ethyl acetate / 5 h / 20 °C 2.2: 69 percent / HOBt; Et3N; EDCI / ethyl acetate; CH2Cl2 / 2.17 h / 0 - 20 °C 3.1: O3 / CH2Cl2 / -78 °C 3.2: 0.3 g / CH2Cl2 / 1 h / -78 °C
Multi-step reaction with 4 steps 1: 85 percent 2: 69 percent / EDCl, HOBt, Et3N / ethyl acetate / 2 h / 0 deg C to room t. 3: O3 / CH2Cl2 / 0.5 h / -78 °C 4: CH2Cl2 / 1 h / -78 °C
  • 23
  • [ 3918-94-3 ]
  • 2-(2-{3-[2-(2-amino-3-methylbutyrylamino)-3-methyl-butyrylamino]-2-oxo-pentanoylamino}-4-methylpentanoylamino)-3-methylbutyric acid [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1.1: 85 percent / Na2CO3 / H2O; dioxane / 18 h / 20 °C 2.1: H2 / Pd/C / ethyl acetate / 5 h / 20 °C 2.2: 69 percent / HOBt; Et3N; EDCI / ethyl acetate; CH2Cl2 / 2.17 h / 0 - 20 °C 3.1: O3 / CH2Cl2 / -78 °C 3.2: 0.3 g / CH2Cl2 / 1 h / -78 °C 4.1: H2 / Pd/C / CH2Cl2; methanol / 24 h / 20 °C
Multi-step reaction with 5 steps 1: 85 percent 2: 69 percent / EDCl, HOBt, Et3N / ethyl acetate / 2 h / 0 deg C to room t. 3: O3 / CH2Cl2 / 0.5 h / -78 °C 4: CH2Cl2 / 1 h / -78 °C 5: 86 percent / H2 / Pd/C / CH2Cl2; methanol / 24 h / Ambient temperature
  • 24
  • [ 3918-94-3 ]
  • [ 188054-60-6 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1.1: 85 percent / Na2CO3 / H2O; dioxane / 18 h / 20 °C 2.1: H2 / Pd/C / ethyl acetate / 5 h / 20 °C 2.2: 69 percent / HOBt; Et3N; EDCI / ethyl acetate; CH2Cl2 / 2.17 h / 0 - 20 °C
Multi-step reaction with 2 steps 1: 85 percent 2: 69 percent / EDCl, HOBt, Et3N / ethyl acetate / 2 h / 0 deg C to room t.
  • 25
  • [ 3918-94-3 ]
  • [ 408349-49-5 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 994 mg / DCC; N-hydroxysuccinimide; aq. NaOH / dioxane / 0 - 20 °C 2: 360 mg / DCC; N-hydroxysuccinimide / dioxane / 0 - 20 °C
  • 26
  • [ 3918-94-3 ]
  • [ 408349-66-6 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: 994 mg / DCC; N-hydroxysuccinimide; aq. NaOH / dioxane / 0 - 20 °C 2: 360 mg / DCC; N-hydroxysuccinimide / dioxane / 0 - 20 °C 3: 97 percent / BBr3 / CHCl3; CH2Cl2
  • 27
  • [ 3918-94-3 ]
  • [ 306314-21-6 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1.1: 82 percent / aq. NaOH 2.1: NMM; iso-BuO2CCl / ethyl acetate / 0.08 h / -10 °C 2.2: 65 percent / ethyl acetate / 96 h / 20 °C
  • 28
  • [ 3918-94-3 ]
  • (3S,4R)-5,5,5-Trifluoro-3-hydroxy-4-[(S)-2-((3S,4R)-5,5,5-trifluoro-3-hydroxy-4-{(S)-3-methyl-2-[(S)-3-methyl-2-(3-methyl-butyrylamino)-butyrylamino]-butyrylamino}-pentanoylamino)-propionylamino]-pentanoic acid [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: 82 percent / aq. NaOH 2.1: NMM; iso-BuO2CCl / ethyl acetate / 0.08 h / -10 °C 2.2: 65 percent / ethyl acetate / 96 h / 20 °C 3.1: 85 percent / LiOH*H2O / H2O; dimethylsulfoxide / 6 h / 20 °C
  • 29
  • [ 3496-11-5 ]
  • [ 3918-94-3 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 72 percent / Et3N / 1,2-dimethoxy-ethane; H2O / 20 °C 2: 80 percent / H2; glacial acetic acid / Pd/C / methanol / 3 h / 25 °C / 1551.49 Torr
  • 30
  • [ 72-18-4 ]
  • [ 3918-94-3 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 72 percent / Et3N / 1,2-dimethoxy-ethane; H2O / 20 °C 2: 80 percent / H2; glacial acetic acid / Pd/C / methanol / 3 h / 25 °C / 1551.49 Torr
  • 31
  • [ 13734-41-3 ]
  • [ 3918-94-3 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 95 percent / i-Pr2NEt; dicyclohexylcarbodiimide; hydroxybenzotriazole / dimethylformamide / 20 °C 2: liq. HF / 0 °C
  • 32
  • [ 2462-34-2 ]
  • [ 3918-94-3 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 95 percent / i-Pr2NEt; dicyclohexylcarbodiimide; hydroxybenzotriazole / dimethylformamide / 20 °C 2: liq. HF / 0 °C
  • 33
  • [ 3918-94-3 ]
  • {(S)-1-[(S)-1-((S)-3-Cyano-1-ethyl-2,3-dioxo-propylcarbamoyl)-2-methyl-propylcarbamoyl]-2-methyl-propyl}-carbamic acid benzyl ester [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: 85 percent 2: 69 percent / EDCl, HOBt, Et3N / ethyl acetate / 2 h / 0 deg C to room t. 3: O3 / CH2Cl2 / 0.5 h / -78 °C
  • 35
  • [ 24601-74-9 ]
  • [ 3918-94-3 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: triethylamine / acetonitrile / 4 h / 20 °C 2: H2 / Pd / acetic acid; 2-methyl-propan-2-ol; H2O
  • 36
  • [ 3392-12-9 ]
  • [ 3918-94-3 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: aqueous NaHCO3 / tetrahydrofuran; H2O 2: 1.) trifluoroacetic acid, 2.) aqueous ammonia
Multi-step reaction with 2 steps 1: dimethyl sulfoxide / 24 h 2: trifluoroacetic acid / dichloromethane / 2 h
  • 37
  • [ 13734-41-3 ]
  • [ 3918-94-3 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: dicyclohexylcarbodiimide 2: aqueous NaHCO3 / tetrahydrofuran; H2O 3: 1.) trifluoroacetic acid, 2.) aqueous ammonia
Multi-step reaction with 3 steps 1.1: dicyclohexyl-carbodiimide / tetrahydrofuran / 0.08 h / 0 - 5 °C 1.2: 40 h 2.1: hydrogenchloride / methanol / 5 h 3.1: sodium hydroxide / water 3.2: pH Ca. 6
Multi-step reaction with 3 steps 1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 12 h 2: dimethyl sulfoxide / 24 h 3: trifluoroacetic acid / dichloromethane / 2 h
  • 38
  • [ 72-18-4 ]
  • [ 3918-94-3 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 2: dicyclohexylcarbodiimide 3: aqueous NaHCO3 / tetrahydrofuran; H2O 4: 1.) trifluoroacetic acid, 2.) aqueous ammonia
Multi-step reaction with 3 steps 1: 150 - 180 °C 2: dicyclohexylcarbodiimide / Erwaermen des Reaktionsprodukts mit wss.Salzsaeure in Aceton 3: N2H4+H2O; ethanol
Multi-step reaction with 3 steps 1: (i) 4N>OH, MeOH, (ii) /BRN= 1114120/, DMF, (iii) CF3CO2H 2: Et3N, 1-ethyl-3-(3-dimethylamino-propyl)-carbodiimide*HCl / CH2Cl2 3: H2, aq. HCl / Pd-C
Multi-step reaction with 3 steps 1.1: sodium methylate 1.2: 2 h 2.1: dicyclohexyl-carbodiimide / tetrahydrofuran / 0.08 h / 0 - 5 °C 2.2: 40 h 3.1: sodium hydroxide / water; ethanol / 5 h 3.2: 1 h
With Sodium trimetaphosphate In aq. buffer at 37℃; General conditions for the reaction of amino acids with P3m General procedure: Typical conditions for the reactions: 0.1 M amino acid (Phe, Trp, Met, Val, Gly and Ala) and 0.1 M Trimetaphosphate (P3m). The reactions were carried out under 1 bar and 300 bar at two temperatures, 26 °C and 37 °C, in aqueous solution with the pH 10.7 for 7 days, respectively. The reactions were quenched by adjusting the pH to 4~5 using HCl. The resulting reaction mixtures were then analyzed by HPLC-MS.

  • 39
  • [ 1999-88-8 ]
  • [ 3918-94-3 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: aq.-ethanolic NaOH 2: palladium; aqueous methanol; acetic acid / Hydrogenation
  • 40
  • N-benzyloxycarbonylvaline [ No CAS ]
  • [ 3918-94-3 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: PCl5; diethyl ether / Behandeln der Reaktionsloesung mit L-Valin-methylester in Aether und KHCO3 in H2O 2: aq.-ethanolic NaOH 3: palladium; aqueous methanol; acetic acid / Hydrogenation
  • 41
  • [ 516-06-3 ]
  • [ 3918-94-3 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1: chlorocarbonic acid benzyl ester; aqueous NaOH 2: PCl5; diethyl ether / Behandeln der Reaktionsloesung mit L-Valin-methylester in Aether und KHCO3 in H2O 3: aq.-ethanolic NaOH 4: palladium; aqueous methanol; acetic acid / Hydrogenation
  • 42
  • [ 6306-54-3 ]
  • [ 3918-94-3 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: dicyclohexylcarbodiimide / Erwaermen des Reaktionsprodukts mit wss.Salzsaeure in Aceton 2: N2H4+H2O; ethanol
  • 43
  • [ 37628-67-4 ]
  • [ 3918-94-3 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: Et3N, 1-ethyl-3-(3-dimethylamino-propyl)-carbodiimide*HCl / CH2Cl2 2: H2, aq. HCl / Pd-C
  • 44
  • [ 21760-98-5 ]
  • [ 3918-94-3 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: DCC 2: (hydrogenolysis)
  • 45
  • [ 3918-94-3 ]
  • [ 1135-99-5 ]
  • [(phenyl)2Sn(valylvaline(2-))] [ No CAS ]
YieldReaction ConditionsOperation in experiment
75% With sodium methoxide In methanol byproducts: NaCl; (N2); addn. of NaOMe in soln. of Val-Val in MeOH; reflux with constant stirring for 5-6 h; addn. of hot methanolic soln. of Ph2SnCl2; reflux with stirring for 7-8 h; centrifuging, filtration, removal of solvent under reduced pressure, trituration with petroleum ether (b.p. 40-60°C); recrystn. from methanol-hexane (1:3, v/v); elem. anal.;
  • 46
  • [ 3918-94-3 ]
  • [ 639-58-7 ]
  • (triphenyl)Sn(valylvaline(1-)) [ No CAS ]
YieldReaction ConditionsOperation in experiment
71% With NaOCH3 In methanol byproducts: NaCl; addn. of a soln. of ligand in methanol to NaOCH3, reflux for 5-6 h, addn. of hot soln. of tin compd. in methanol, reflux for 8-10 h; centrifuged, filtered, solvent removed under reduced pressure, triturated with petroleum benzine, recrystn. (methanol/petroleum benzine); elem. anal.;
  • 47
  • [ 72-18-4 ]
  • [ 61-90-5 ]
  • [ 3918-94-3 ]
  • [ 3303-31-9 ]
  • [ 28130-13-4 ]
  • [ 10329-75-6 ]
  • 48
  • [ 33857-88-4 ]
  • [ 3918-94-3 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1.1: hydrogenchloride / methanol / 5 h 2.1: sodium hydroxide / water 2.2: pH Ca. 6
  • 49
  • [ 4070-48-8 ]
  • [ 3918-94-3 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: dicyclohexyl-carbodiimide / tetrahydrofuran / 0.08 h / 0 - 5 °C 1.2: 40 h 2.1: hydrogenchloride / methanol / 5 h 3.1: sodium hydroxide / water 3.2: pH Ca. 6
  • 50
  • L-valyl-L-valine methyl ester [ No CAS ]
  • [ 3918-94-3 ]
YieldReaction ConditionsOperation in experiment
4.58 g Stage #1: L-valyl-L-valine methyl ester With sodium hydroxide In water Stage #2: With hydrogenchloride
  • 51
  • [ 1803-86-7 ]
  • [ 3918-94-3 ]
YieldReaction ConditionsOperation in experiment
70% Stage #1: methyl N-<N-(trifluoroacetyl)-L-valyl>-L-valinate With sodium hydroxide In ethanol; water for 5h; Stage #2: With trifluoroacetic acid In ethanol; water for 1h;
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