Home Cart 0 Sign in  
X

[ CAS No. 617-35-6 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
HazMat Fee +

There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
3d Animation Molecule Structure of 617-35-6
Chemical Structure| 617-35-6
Chemical Structure| 617-35-6
Structure of 617-35-6 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 617-35-6 ]

Related Doc. of [ 617-35-6 ]

Alternatived Products of [ 617-35-6 ]

Product Details of [ 617-35-6 ]

CAS No. :617-35-6 MDL No. :MFCD00009123
Formula : C5H8O3 Boiling Point : -
Linear Structure Formula :CH3COCOOC2H5 InChI Key :XXRCUYVCPSWGCC-UHFFFAOYSA-N
M.W : 116.12 Pubchem ID :12041
Synonyms :
CTI-01
Chemical Name :Ethyl 2-oxopropanoate

Calculated chemistry of [ 617-35-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 8
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.6
Num. rotatable bonds : 3
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 27.63
TPSA : 43.37 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.75 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.37
Log Po/w (XLOGP3) : 0.36
Log Po/w (WLOGP) : 0.14
Log Po/w (MLOGP) : -0.09
Log Po/w (SILICOS-IT) : 0.34
Consensus Log Po/w : 0.42

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -0.59
Solubility : 29.9 mg/ml ; 0.258 mol/l
Class : Very soluble
Log S (Ali) : -0.84
Solubility : 17.0 mg/ml ; 0.146 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.64
Solubility : 26.4 mg/ml ; 0.228 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.04

Safety of [ 617-35-6 ]

Signal Word:Danger Class:3
Precautionary Statements:P501-P210-P233-P370+P378-P303+P361+P353-P403+P235 UN#:3272
Hazard Statements:H225 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 617-35-6 ]

* 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.

  • Upstream synthesis route of [ 617-35-6 ]
  • Downstream synthetic route of [ 617-35-6 ]

[ 617-35-6 ] Synthesis Path-Upstream   1~54

  • 1
  • [ 617-35-6 ]
  • [ 41052-75-9 ]
  • [ 43142-64-9 ]
Reference: [1] Journal of Medicinal Chemistry, 2003, vol. 46, # 19, p. 3957 - 3960
[2] Patent: US2003/207893, 2003, A1,
[3] Patent: WO2004/22061, 2004, A1, . Location in patent: Page/Page column 56-57
[4] Patent: EP1373204, 2016, B1, . Location in patent: Paragraph 0165
  • 2
  • [ 617-35-6 ]
  • [ 95-51-2 ]
  • [ 43142-64-9 ]
Reference: [1] Journal of Organic Chemistry, 2018, vol. 83, # 23, p. 14472 - 14488
  • 3
  • [ 617-35-6 ]
  • [ 14003-34-0 ]
  • [ 32601-86-8 ]
Reference: [1] Journal of the Indian Chemical Society, 2005, vol. 82, # 11, p. 972 - 974
  • 4
  • [ 60-35-5 ]
  • [ 617-35-6 ]
  • [ 10200-43-8 ]
Reference: [1] Synthetic Communications, 2003, vol. 33, # 9, p. 1611 - 1614
  • 5
  • [ 617-35-6 ]
  • [ 6436-59-5 ]
Reference: [1] Organic Letters, 2012, vol. 14, # 24, p. 6354 - 6357
[2] European Journal of Medicinal Chemistry, 2016, vol. 123, p. 718 - 726
  • 6
  • [ 462-08-8 ]
  • [ 617-35-6 ]
  • [ 27507-15-9 ]
  • [ 119830-48-7 ]
Reference: [1] Chemistry of Heterocyclic Compounds (New York, NY, United States), 1988, vol. 24, # 8, p. 885 - 886[2] Khimiya Geterotsiklicheskikh Soedinenii, 1988, # 8, p. 1075 - 1077
  • 7
  • [ 617-35-6 ]
  • [ 5398-36-7 ]
Reference: [1] Justus Liebigs Annalen der Chemie, 1891, vol. 261, p. 26
[2] European Journal of Medicinal Chemistry, 2016, vol. 123, p. 718 - 726
  • 8
  • [ 504-29-0 ]
  • [ 617-35-6 ]
  • [ 69142-64-9 ]
Reference: [1] Chemistry of Heterocyclic Compounds (New York, NY, United States), 1988, vol. 24, # 8, p. 885 - 886[2] Khimiya Geterotsiklicheskikh Soedinenii, 1988, # 8, p. 1075 - 1077
  • 9
  • [ 462-08-8 ]
  • [ 617-35-6 ]
  • [ 27507-15-9 ]
  • [ 119830-47-6 ]
  • [ 119830-48-7 ]
Reference: [1] Chemistry of Heterocyclic Compounds (New York, NY, United States), 1988, vol. 24, # 8, p. 885 - 886[2] Khimiya Geterotsiklicheskikh Soedinenii, 1988, # 8, p. 1075 - 1077
  • 10
  • [ 617-35-6 ]
  • [ 91-22-5 ]
  • [ 10447-29-7 ]
  • [ 4491-33-2 ]
  • [ 25635-39-6 ]
Reference: [1] Tetrahedron, 1986, vol. 42, # 21, p. 5973 - 5977
  • 11
  • [ 617-35-6 ]
  • [ 91-22-5 ]
  • [ 10447-29-7 ]
  • [ 4491-33-2 ]
  • [ 25635-39-6 ]
Reference: [1] Tetrahedron, 1986, vol. 42, # 21, p. 5973 - 5977
  • 12
  • [ 617-35-6 ]
  • [ 106-49-0 ]
  • [ 16382-15-3 ]
Reference: [1] Journal of Organic Chemistry, 2018, vol. 83, # 23, p. 14472 - 14488
  • 13
  • [ 617-35-6 ]
  • [ 372-19-0 ]
  • [ 348-37-8 ]
  • [ 348-32-3 ]
Reference: [1] Journal of Organic Chemistry, 2018, vol. 83, # 23, p. 14472 - 14488
  • 14
  • [ 617-35-6 ]
  • [ 108-42-9 ]
  • [ 27034-51-1 ]
  • [ 53590-46-8 ]
Reference: [1] Journal of Organic Chemistry, 2018, vol. 83, # 23, p. 14472 - 14488
  • 15
  • [ 617-35-6 ]
  • [ 2312-23-4 ]
  • [ 27034-51-1 ]
Reference: [1] Synthetic Communications, 2009, vol. 39, # 14, p. 2506 - 2515
  • 16
  • [ 617-35-6 ]
  • [ 591-19-5 ]
  • [ 103858-53-3 ]
Reference: [1] Journal of Organic Chemistry, 2018, vol. 83, # 23, p. 14472 - 14488
  • 17
  • [ 617-35-6 ]
  • [ 27246-81-7 ]
  • [ 103858-53-3 ]
Reference: [1] Synthetic Communications, 2009, vol. 39, # 14, p. 2506 - 2515
  • 18
  • [ 617-35-6 ]
  • [ 622-88-8 ]
  • [ 103858-53-3 ]
Reference: [1] Journal of Medicinal Chemistry, 2003, vol. 46, # 19, p. 3957 - 3960
  • 19
  • [ 617-35-6 ]
  • [ 823-85-8 ]
  • [ 348-36-7 ]
Reference: [1] Synthetic Communications, 2009, vol. 39, # 14, p. 2506 - 2515
  • 20
  • [ 617-35-6 ]
  • [ 106-47-8 ]
  • [ 4792-67-0 ]
Reference: [1] Journal of Organic Chemistry, 2018,
  • 21
  • [ 617-35-6 ]
  • [ 1073-70-7 ]
  • [ 4792-67-0 ]
Reference: [1] Patent: US5017584, 1991, A,
  • 22
  • [ 617-35-6 ]
  • [ 59937-01-8 ]
Reference: [1] European Journal of Medicinal Chemistry, 2016, vol. 123, p. 718 - 726
  • 23
  • [ 617-35-6 ]
  • [ 16732-66-4 ]
  • [ 16732-69-7 ]
YieldReaction ConditionsOperation in experiment
47% for 16 h; Reflux; Water separator EXAMPLE XIX
Ethyl 7-bromo-1H-indole-2-carboxylate
11.0 g 2-bromophenylhydrazine and 550 mg p-toluenesulphonic acid monohydrate are dissolved in 200 ml of toluene, combined with 6.74 ml ethyl pyruvate and refluxed for 2 hours using the water separator.
The mixture is allowed to cool to 40° C. and combined with a solution that is obtained by dissolving 44.75 g p-toluenesulphonic acid monohydrate in 300 ml of toluene and refluxing for two hours using the water separator.
Then the mixture is refluxed for 12 hours using the water separator.
After cooling to ambient temperature the solvents are eliminated in vacuo, the residue is taken up in ethyl acetate and washed successively with water and saturated aqueous sodium hydrogen carbonate solution.
After drying with magnesium sulphate the mixture is combined with activated charcoal, stirred for 15 minutes and filtered through kieselguhr.
The process of adding activated charcoal, stirring and filtering is repeated twice more.
The solvents are eliminated in vacuo and the residue is taken up in petroleum ether/dichloromethane 7:3.
30 g of silica gel are added, the mixture is stirred for 10 minutes and then suction filtered through kieselguhr.
The suction filtered silica gel is washed with petroleum ether/dichloromethane 7:3.
The solvents are eliminated in vacuo.
Yield: 7.37 g (47percent of theory)
HPLC (method 1): retention time=3.82 min.
Mass spectrum (ESI+): m/z=268 [M+H]+
Reference: [1] Journal of Organic Chemistry, 2007, vol. 72, # 8, p. 2978 - 2987
[2] Patent: US2011/269737, 2011, A1, . Location in patent: Page/Page column 49
  • 24
  • [ 617-35-6 ]
  • [ 50709-33-6 ]
  • [ 16732-69-7 ]
Reference: [1] Journal of Medicinal Chemistry, 2003, vol. 46, # 19, p. 3957 - 3960
  • 25
  • [ 617-35-6 ]
  • [ 372-19-0 ]
  • [ 348-37-8 ]
  • [ 348-32-3 ]
Reference: [1] Journal of Organic Chemistry, 2018,
  • 26
  • [ 617-35-6 ]
  • [ 27246-81-7 ]
  • [ 103858-52-2 ]
Reference: [1] Journal of Medicinal Chemistry, 2003, vol. 46, # 19, p. 3957 - 3960
  • 27
  • [ 617-35-6 ]
  • [ 873-74-5 ]
  • [ 105191-13-7 ]
Reference: [1] Journal of Organic Chemistry, 2018, vol. 83, # 23, p. 14472 - 14488
  • 28
  • [ 617-35-6 ]
  • [ 5446-18-4 ]
  • [ 4792-70-5 ]
Reference: [1] Journal of Medicinal Chemistry, 2003, vol. 46, # 19, p. 3957 - 3960
  • 29
  • [ 617-35-6 ]
  • [ 6293-87-4 ]
  • [ 6960-46-9 ]
Reference: [1] Synthetic Communications, 2009, vol. 39, # 14, p. 2506 - 2515
  • 30
  • [ 617-35-6 ]
  • [ 636-99-7 ]
  • [ 16732-57-3 ]
Reference: [1] Synthetic Communications, 2009, vol. 39, # 14, p. 2506 - 2515
  • 31
  • [ 617-35-6 ]
  • [ 98-16-8 ]
  • [ 327-21-9 ]
Reference: [1] Journal of Organic Chemistry, 2018,
  • 32
  • [ 617-35-6 ]
  • [ 19524-06-2 ]
  • [ 62150-47-4 ]
YieldReaction ConditionsOperation in experiment
82%
Stage #1: at -20 - 0℃; for 0.5 h; Large scale
Stage #2: at 10℃; Large scale
Stage #3: With ferrous(II) sulfate heptahydrate; sulfuric acid In dichloromethane; water at 20℃; Large scale
At -20 ° C ~ -10 ° C (preferably -10 ° C),1700 g of ethyl pyruvate was dropped into 1400 g of 35percent hydrogen peroxide solution.The reaction was kept for 30 minutes and used.1400 g of 4-bromopyridine hydrochloride (Cpd 1) was added to ice water.At a temperature less than 10 ° C,Adjust the pH to 8-9 with potassium carbonateExtracted twice with 7L of dichloromethane (DCM).Dry; pour the above organic phase into a 50L reaction flask,Add 1.4 L of water to the reaction solution.4073g ferrous sulfate heptahydrate,448mL concentrated sulfuric acid,Stir at room temperature;At -10 ° C to 0 ° C (preferably -5 ° C),Add ethyl pyruvate / hydrogen peroxide solution,Continue the reaction for 4 hours; extract with 7L of water,Spin dry to give ethyl 4-bromopyridine-2-carboxylate (Cpd 2)1390g.The yield was 82percent.
Reference: [1] Patent: CN108516953, 2018, A, . Location in patent: Paragraph 0067-0071; 0076-0083
[2] Patent: CN105153023, 2018, B, . Location in patent: Paragraph 0059; 0060-0061
  • 33
  • [ 617-35-6 ]
  • [ 100-48-1 ]
  • [ 97316-50-2 ]
  • [ 97316-54-6 ]
  • [ 97316-52-4 ]
  • [ 97316-53-5 ]
Reference: [1] Angewandte Chemie, 1985, vol. 97, # 8, p. 694 - 695
[2] Heterocycles, 1987, vol. 26, # 3, p. 731 - 744
[3] Angewandte Chemie, 1985, vol. 97, # 8, p. 694 - 695
[4] Angewandte Chemie, 1985, vol. 97, # 8, p. 694 - 695
[5] Heterocycles, 1987, vol. 26, # 3, p. 731 - 744
[6] Heterocycles, 1987, vol. 26, # 3, p. 731 - 744
[7] Heterocycles, 1987, vol. 26, # 3, p. 731 - 744
  • 34
  • [ 617-35-6 ]
  • [ 100-70-9 ]
  • [ 58481-14-4 ]
  • [ 97483-79-9 ]
Reference: [1] Heterocycles, 1987, vol. 26, # 3, p. 731 - 744
[2] Heterocycles, 1987, vol. 26, # 3, p. 731 - 744
  • 35
  • [ 617-35-6 ]
  • [ 123-30-8 ]
  • [ 24985-85-1 ]
Reference: [1] Journal of Organic Chemistry, 2018,
  • 36
  • [ 504-29-0 ]
  • [ 617-35-6 ]
  • [ 38922-77-9 ]
Reference: [1] European Journal of Organic Chemistry, 2013, # 27, p. 6015 - 6020
  • 37
  • [ 617-35-6 ]
  • [ 38922-77-9 ]
Reference: [1] Chemical and Pharmaceutical Bulletin, 1992, vol. 40, # 5, p. 1170 - 1176
  • 38
  • [ 617-35-6 ]
  • [ 42166-50-7 ]
  • [ 24334-19-8 ]
Reference: [1] European Journal of Medicinal Chemistry, 2012, vol. 54, p. 660 - 668
  • 39
  • [ 617-35-6 ]
  • [ 20511-15-3 ]
  • [ 24334-19-8 ]
Reference: [1] Angewandte Chemie - International Edition, 2016, vol. 55, # 39, p. 11859 - 11862[2] Angew. Chem., 2016, vol. 128, p. 12038 - 12041,4
  • 40
  • [ 617-35-6 ]
  • [ 24334-19-8 ]
Reference: [1] Synthesis, 2005, # 15, p. 2571 - 2577
  • 41
  • [ 290-37-9 ]
  • [ 617-35-6 ]
  • [ 6924-68-1 ]
Reference: [1] Tetrahedron, 1986, vol. 42, # 21, p. 5973 - 5977
[2] Angewandte Chemie, 1985, vol. 97, # 8, p. 694 - 695
  • 42
  • [ 617-35-6 ]
  • [ 6298-19-7 ]
  • [ 17288-32-3 ]
YieldReaction ConditionsOperation in experiment
190 mg
Stage #1: at 20℃; for 24 h;
Stage #2: at 160℃; for 0.333333 h; Microwave irradiation
3-Amino-2-chloro-pyridine 4f (150 mg, 1.17 mmol), ethyl pyruvate 8 (0.25 ml, 2.00 mmol), pyridinium p-toluenesulfonate, (73 mg, 0.29 mmol) and tetraethoxy-silane (0.26 ml, 1.18 mmol) were suspended in 0.4 ml pyridine and stirred for 24 h at 20 °C. Afterwards Pd[P(C6H6)3]4 (70 mg, 0.06 mmol) and N,N-dicyclohexylmethylamine (0.35 ml, 2.06 mmol) were added and the reaction mixture was heated in a microwave oven to 160 °C for 20 min. The reaction mixture is diluted with 100 ml dichloromethan and extracted two times with 50 ml of a half saturated aqueous sodium hydrogencarbonat solution. The organic layer was dried with sodium sulfate, the solvent was evaporated under reduced pressure and the crude product was purified using chromatography method P3, yielding 190 mg (1.00 mmol) of 1H-Pyrrolo[3,2-b]pyridine-2-carboxylic acid ethyl ester. The ester was dissolved in 17 ml ethanol and 5 ml water. To this solution lithium hydroxide (120 mg, 5.00 mmol) was added. After 16 h the pH value of the reaction mixture was adjusted to pH 4 and the solvent is evaporated in vacuum. The crude product was purified using an acid ion exchanger (Strata-X-C, Phenomenex), yielding of 155 mg (82percent) of the title compound. Purity by method A1: >95percent; MS (ESI) m/z 163 (M + H)+; 1H NMR (DMSO) δ (ppm) 13.34 (br, 1H), 8.77 (d, J = 5.3 Hz, 1H), 8.53 (d, J = 8.3 Hz, 1H), 7.73 (dd, J = 5.4 Hz, J = 8.3 Hz, 1H), 7.33 (br, 1H); 13C NMR (500 MHz, DMSO) δ (ppm) 161.4 (s), 138.0 (s), 136.1 (s), 135.8 (s), 132.7 (s), 128.6 (s), 119.6 (s), 101.2 (s).
Reference: [1] Angewandte Chemie - International Edition, 2016, vol. 55, # 39, p. 11859 - 11862[2] Angew. Chem., 2016, vol. 128, p. 12038 - 12041,4
[3] European Journal of Medicinal Chemistry, 2012, vol. 54, p. 660 - 668
  • 43
  • [ 617-35-6 ]
  • [ 17288-32-3 ]
Reference: [1] Synthesis, 2005, # 15, p. 2571 - 2577
  • 44
  • [ 617-35-6 ]
  • [ 64951-06-0 ]
Reference: [1] Chemical and Pharmaceutical Bulletin, 1992, vol. 40, # 5, p. 1170 - 1176
  • 45
  • [ 617-35-6 ]
  • [ 27871-49-4 ]
  • [ 17392-83-5 ]
Reference: [1] Advanced Synthesis and Catalysis, 2010, vol. 352, # 9, p. 1503 - 1511
  • 46
  • [ 617-35-6 ]
  • [ 15933-07-0 ]
Reference: [1] European Journal of Organic Chemistry, 2003, # 23, p. 4664 - 4678
  • 47
  • [ 617-35-6 ]
  • [ 70-23-5 ]
YieldReaction ConditionsOperation in experiment
158.1 g With carbon dioxide; bromine In water at 20℃; for 2 h; Take 116.12g of ethyl pyruvate and 159.81g of bromine water (80percent by mass), and then dry and carbon dioxide at 20 ° C, stir and react for 2 hours.The reaction product was extracted with dichloromethane.Concentrated and dried at atmospheric pressure,158.1 g of compound 1 were obtained
Reference: [1] Justus Liebigs Annalen der Chemie, 1949, vol. 564, p. 35
[2] Journal of the Chemical Society, 1947, p. 670
[3] Journal of the American Chemical Society, 1944, vol. 66, p. 1658
[4] Journal of the Chemical Society, 1947, p. 1372,1374
[5] Recueil des Travaux Chimiques des Pays-Bas, 1941, vol. 60, p. 495,500[6] Recueil des Travaux Chimiques des Pays-Bas, 1943, vol. 62, p. 158,160 Anm. 6
[7] Justus Liebigs Annalen der Chemie, 1891, vol. 261, p. 26
[8] Helvetica Chimica Acta, 1942, vol. 25, p. 1075
[9] Journal of Organic Chemistry, 1957, vol. 22, p. 1678
[10] Journal of the Chemical Society, 1923, vol. 123, p. 2208
[11] Chemical and Pharmaceutical Bulletin, 1992, vol. 40, # 5, p. 1170 - 1176
[12] Bioorganic and Medicinal Chemistry Letters, 2009, vol. 19, # 16, p. 4589 - 4593
[13] Organic Letters, 2012, vol. 14, # 24, p. 6354 - 6357
[14] European Journal of Medicinal Chemistry, 2016, vol. 123, p. 718 - 726
[15] Patent: CN107286064, 2017, A, . Location in patent: Paragraph 0041; 0042
[16] Patent: CN108218809, 2018, A, . Location in patent: Paragraph 0010
[17] Patent: CN108329313, 2018, A, . Location in patent: Paragraph 0029; 0040-0042
  • 48
  • [ 56-23-5 ]
  • [ 128-08-5 ]
  • [ 97-64-3 ]
  • [ 617-35-6 ]
  • [ 70-23-5 ]
Reference: [1] Journal of Organic Chemistry, 1957, vol. 22, p. 1678
[2] Journal of the American Chemical Society, 1954, vol. 76, p. 5796
  • 49
  • [ 617-35-6 ]
  • [ 15206-55-0 ]
  • [ 687-47-8 ]
  • [ 7699-00-5 ]
  • [ 21210-43-5 ]
  • [ 20698-91-3 ]
Reference: [1] Catalysis Letters, 2011, vol. 141, # 11, p. 1616 - 1620
  • 50
  • [ 617-35-6 ]
  • [ 100-70-9 ]
  • [ 58481-14-4 ]
  • [ 97483-79-9 ]
Reference: [1] Heterocycles, 1987, vol. 26, # 3, p. 731 - 744
[2] Heterocycles, 1987, vol. 26, # 3, p. 731 - 744
  • 51
  • [ 617-35-6 ]
  • [ 407-25-0 ]
  • [ 893643-18-0 ]
Reference: [1] Journal of Fluorine Chemistry, 1993, vol. 65, # 1-2, p. 91 - 96
  • 52
  • [ 617-35-6 ]
  • [ 179692-09-2 ]
Reference: [1] Patent: US2011/118251, 2011, A1,
[2] Bioorganic and Medicinal Chemistry Letters, 2015, vol. 25, # 14, p. 2793 - 2799
[3] Patent: US2016/237059, 2016, A1,
[4] Patent: TW2016/5831, 2016, A,
  • 53
  • [ 617-35-6 ]
  • [ 165682-93-9 ]
Reference: [1] European Journal of Medicinal Chemistry, 2016, vol. 123, p. 718 - 726
  • 54
  • [ 617-35-6 ]
  • [ 144-55-8 ]
  • [ 299440-21-4 ]
  • [ 396076-60-1 ]
Reference: [1] Patent: US2002/35110, 2002, A1,
Recommend Products
Same Skeleton Products
Historical Records

Similar Product of
[ 617-35-6 ]

Chemical Structure| 158612-88-5

A1268021[ 158612-88-5 ]

Ethyl pyruvate-3-13C

Reason: Stable Isotope

Chemical Structure| 91114-71-5

A1268015[ 91114-71-5 ]

Ethyl pyruvate-2-13C

Reason: Stable Isotope

Chemical Structure| 905440-74-6

A1267992[ 905440-74-6 ]

Pyruvic Acid-13C Ethyl Ester

Reason: Stable Isotope

Related Functional Groups of
[ 617-35-6 ]

Esters

Chemical Structure| 600-22-6

[ 600-22-6 ]

Methyl 2-oxopropanoate

Similarity: 0.92

Chemical Structure| 133318-40-8

[ 133318-40-8 ]

Diethyl 2-oxomalonate hydrate

Similarity: 0.90

Chemical Structure| 609-09-6

[ 609-09-6 ]

Diethyl 2-oxomalonate

Similarity: 0.90

Chemical Structure| 15933-07-0

[ 15933-07-0 ]

Ethyl 2-oxobutanoate

Similarity: 0.87

Chemical Structure| 5965-53-7

[ 5965-53-7 ]

Diethyl 2-oxopentanedioate

Similarity: 0.84

Ketones

Chemical Structure| 600-22-6

[ 600-22-6 ]

Methyl 2-oxopropanoate

Similarity: 0.92

Chemical Structure| 133318-40-8

[ 133318-40-8 ]

Diethyl 2-oxomalonate hydrate

Similarity: 0.90

Chemical Structure| 609-09-6

[ 609-09-6 ]

Diethyl 2-oxomalonate

Similarity: 0.90

Chemical Structure| 15933-07-0

[ 15933-07-0 ]

Ethyl 2-oxobutanoate

Similarity: 0.87

Chemical Structure| 5965-53-7

[ 5965-53-7 ]

Diethyl 2-oxopentanedioate

Similarity: 0.84