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Chemistry
Organic Building Blocks
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Ethyl 2,6-dimethyl-4-oxocyclohex-2-enecarboxylate
Chemistry
Organic Building Blocks
Esters
Ketones Alkenyls Aliphatic Cyclic Hydrocarbons

[ CAS No. 6102-15-4 ]

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3d Animation Molecule Structure of 6102-15-4
Chemical Structure| 6102-15-4
Chemical Structure| 6102-15-4
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Quality Control of [ 6102-15-4 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 6102-15-4 ]

SDS Specification
Alternatived Products of [ 6102-15-4 ]

Product Details of [ 6102-15-4 ]

CAS No. :6102-15-4 MDL No. :MFCD00019433
Formula : C11H16O3 Boiling Point : -
Linear Structure Formula :- InChI Key :FMQHLVMBLLFWPK-UHFFFAOYSA-N
M.W :196.24 Pubchem ID :223002
Synonyms :

Calculated chemistry of [ 6102-15-4 ]

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.64
Num. rotatable bonds : 3
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 53.89
TPSA : 43.37 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.66 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.97
Log Po/w (XLOGP3) : 1.18
Log Po/w (WLOGP) : 1.72
Log Po/w (MLOGP) : 1.4
Log Po/w (SILICOS-IT) : 1.97
Consensus Log Po/w : 1.65

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.6
Solubility : 4.91 mg/ml ; 0.025 mol/l
Class : Very soluble
Log S (Ali) : -1.69
Solubility : 4.04 mg/ml ; 0.0206 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.99
Solubility : 2.03 mg/ml ; 0.0103 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.69

Safety of [ 6102-15-4 ]

Signal Word:Warning Class:
Precautionary Statements:P264-P270-P301+P312-P330 UN#:
Hazard Statements:H302 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 6102-15-4 ]

* 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 [ 6102-15-4 ]

[ 6102-15-4 ] Synthesis Path-Downstream   1~41

  • 1
  • [ 542-69-8 ]
  • [ 6102-15-4 ]
  • [ 93445-51-3 ]
YieldReaction ConditionsOperation in experiment
Reaktion ueber 2 Stufen;
Reference： [1]Horning; Horning; Walker [Journal of the American Chemical Society, 1949, vol. 71, p. 169]
  • 2
  • [ 6102-15-4 ]
  • [ 1123-09-7 ]
YieldReaction ConditionsOperation in experiment
With sodium hydroxide anschliessend mit wss. H2SO4;
3.7 g Stage #1: 2,6-dimethyl-4-oxo-cyclohex-2-enecarboxylic acid ethyl ester With sodium hydroxide In methanol; water at 100℃; for 2h; Stage #2: With sulfuric acid In methanol; water at 85℃; for 2h; 3-4 Example 4: Preparation of compound V (3,5-dimethyl-2-cyclohexen-1-one) Add 4-ethoxycarbonyl-3,5-dimethyl-2-cyclohexen-1-one (11.6g, 59.1mmol) into the flask,Add methanol (1.1mL),Stir evenly, add sodium hydroxide aqueous solution (7.1g dissolved in 30mL water) at room temperature, increase the temperature to 100°C and react for 120min, then cool downAdjust pH>2 with sulfuric acid (15.1g, 154mmol), continue to heat up to 85°C and react for 120min, then cool down,After extraction with methyl tert-butyl ether, the extract was desolvated and distilled under reduced pressure to obtain 3.7 g of compound V.
Reference： [1]Ciocca; Scattola [Gazzetta Chimica Italiana, 1936, vol. 66, p. 394,397] Horning; Denekas; Field [Journal of Organic Chemistry, 1944, vol. 9, p. 547,549][Organic Syntheses, 1955, vol. Coll. Vol. III, p. 317]
[2]Current Patent Assignee: SHANGHAI MUSE HEALTH TECH - CN111484393, 2020, A Location in patent: Paragraph 0079-0081; 0082-0083
  • 3
  • [ 6102-15-4 ]
  • [ 53792-15-7 ]
YieldReaction ConditionsOperation in experiment
With ammonia; sodium amide Erwaermen des nach Zusatz von Aether vom Ammoniak befreiten Reaktionsgemisches mit Aethyljodid in Aether und Toluol;
Reference： [1]Horning; Horning; Walker [Journal of the American Chemical Society, 1949, vol. 71, p. 169]
  • 4
  • [ 6102-15-4 ]
  • [ 36714-69-9 ]
YieldReaction ConditionsOperation in experiment
With palladium on activated charcoal Hydrogenation.anschliessend mit heisser wss.-aethanol. Natronlauge behandeln;
Reference： [1]Horning et al. [Journal of the American Chemical Society, 1948, vol. 70, p. 3935]
  • 6
  • [ 6102-15-4 ]
  • 2,6-dimethyl-4-semicarbazono-cyclohex-2-enecarboxylic acid ethyl ester [ No CAS ]
Reference： [1]Gustafsson [Suomen Kemistiseuran Tiedonantoja, 1935, vol. 44, p. 85]
  • 7
  • [ 141-97-9 ]
  • [ 75-07-0 ]
  • [ 6102-15-4 ]
YieldReaction ConditionsOperation in experiment
95% With potassium <i>tert</i>-butylate In <i>tert</i>-butyl alcohol Inert atmosphere;
80% With potassium <i>tert</i>-butylate In <i>tert</i>-butyl alcohol Heating;
71% With potassium <i>tert</i>-butylate In <i>tert</i>-butyl alcohol for 20h; Heating;
With piperidine Erhitzen des Reaktionsprodukts mit Eisessig und konz. Schwefelsaeure;
With piperidine In ethanol at 80℃;
23 g With piperidine In water; toluene for 3h; Reflux; 1-2 Example 1: Preparation of compound VI (4-ethoxycarbonyl-3,5-dimethyl-2-cyclohexen-1-one) Add 40% acetaldehyde aqueous solution (14.5g, 131.7mmol) and ethyl acetoacetate (37.7g, 289.7mmol) to the flask, add toluene (58mL), stir well, add piperidine (0.11g, 1.3mmol) at room temperature After heating and refluxing reaction for 3 hours, the temperature was lowered, and distillation under reduced pressure was carried out to obtain 23 g of compound VI.

Reference： [1]Kim, Minsoo; Jung, Hyunuk; Aragonès, Albert C.; Díez-Pérez, Ismael; Ahn, Kwang-Hyun; Chung, Wook-Jin; Kim, Dahye; Koo, Sangho [Organic Letters, 2018, vol. 20, # 2, p. 493 - 496]
[2]Ramachary, Dhevalapally B.; Ramakumar, Kinthada; Narayana, Vidadala V. [Journal of Organic Chemistry, 2007, vol. 72, # 4, p. 1458 - 1463]
[3]Chong, Byong-Don; Ji, Tong-Il; Oh, Seong-Soo; Yang, Jae-Deuk; Baik, Woonphil; Koo, Sangho [Journal of Organic Chemistry, 1997, vol. &lt;26&gt; 62, p. 9323 - 9325]
[4]Horning; Denekas; Field [Organic Syntheses, 1947, vol. 27, p. 24]
[5]Location in patent: body text Ramachary, Dhevalapally B.; Narayana, Vidadala V.; Prasad, M. Shiva; Ramakumar, Kinthada [Organic and Biomolecular Chemistry, 2009, vol. 7, # 17, p. 3372 - 3378]
[6]Current Patent Assignee: SHANGHAI MUSE HEALTH TECH - CN111484393, 2020, A Location in patent: Paragraph 0074-0076; 0077-0078
  • 8
  • [ 141-97-9 ]
  • [ 74-86-2 ]
  • [ 6102-15-4 ]
  • [ 5423-31-4 ]
YieldReaction ConditionsOperation in experiment
With sulfuric acid; mercury(II) sulfate at 70 - 80℃;
Reference： [1]Gustafsson [Suomen Kemistiseuran Tiedonantoja, 1935, vol. 44, p. 85]
  • 9
  • [ 6102-15-4 ]
  • [ 119-26-6 ]
  • [ 6429-43-2 ]
Reference： [1]Horning; Denekas; Field [Journal of Organic Chemistry, 1944, vol. 9, p. 547,549][Organic Syntheses, 1955, vol. Coll. Vol. III, p. 317]
  • 10
  • [ 141-97-9 ]
  • [ 123-63-7 ]
  • [ 6102-15-4 ]
YieldReaction ConditionsOperation in experiment
With anion-exchanger; cationen-exchanger
Reference： [1]Mastagli [Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1956, vol. 242, p. 1031,1032]
  • 11
  • 3-ethoxycarbonyl-3-penten-2-one [ No CAS ]
  • [ 6102-15-4 ]
  • [ 5423-31-4 ]
YieldReaction ConditionsOperation in experiment
With sulfuric acid
Reference： [1]Ciocca; Scattola [Gazzetta Chimica Italiana, 1936, vol. 66, p. 776,778]
  • 12
  • [ 6102-15-4 ]
  • [ 18649-43-9 ]
  • [ 116059-86-0 ]
  • [ 116059-87-1 ]
  • [ 116059-88-2 ]
YieldReaction ConditionsOperation in experiment
1: 1.3% 2: 1% 3: 8.6% With dmap In chloroform at 60℃; for 48h;
1: 8.6% 2: 1.3% 3: 1% With dmap In chloroform at 60℃; for 48h;
Reference： [1]Ackland, Darren J.; Pinhey, John T. [Journal of the Chemical Society. Perkin transactions I, 1987, p. 2689 - 2694]
[2]Ackland, Darren J.; Pinhey, John T. [Journal of the Chemical Society. Perkin transactions I, 1987, p. 2689 - 2694]
  • 13
  • [ 6102-15-4 ]
  • [ 75056-98-3 ]
YieldReaction ConditionsOperation in experiment
91% With N-Bromosuccinimide; trimethylsilyl trifluoromethanesulfonate In acetonitrile at 25℃; for 12h; Inert atmosphere; Representative experimental procedure for 1a: To a stirred solution of cyclohexenone 2a (11.30 g, 57.60 mmol) in MeCN (50 mL) were added N-bromosuccinimide (10.25 g, 57.60 mmol) and TMS OTf (1.28 g, 5.76 mmol, 10 mol%). The mixture was stirred at room temperature for 12 h under argon atmosphere, diluted with EtOAc, washed with 1 M HCl, dried over anhydrous Na2SO4, filtered and concentrated to give the crude product (16.02 g) as reddish yellow oil. The crude product was purified by SiO2 flash column chromatography (eluent 25-45% EtOAc/hexane gradient) to give pure phenol 1a (10.18 g, 52.42 mmol) in 91% yield as yellow oil. Data for 1a: Rf = 0.23 (1:4 EtOAc/hexane); 1H-NMR (CDCl3) δ 1.36 (t, J = 7.2 Hz, 3H), 2.25 (s, 6H), 4.35 (q, J = 7.2 Hz, 2H), 6.45 (s, 2H) ppm; 13C-NMR (CDCl3) δ 13.9, 19.8, 61.0, 114.5, 125.2, 137.4, 156.8, 171.0 ppm; IR (KBr) 3381, 2978, 2933, 1715, 1655, 1610, 1592, 1461, 1446, 1368, 1256, 1159, 1088, 1029, 854, 783, 716, 637, 604 cm-1; HRMS (EI) calcd for C11H14O3 194.0943, found 194.0947..
45% With carbon disulfide; bromine 1) -10 deg C; 2) RT,;
83.5 %Chromat. With palladium 10% on activated carbon In N,N-dimethyl acetamide at 150℃; for 24h; 8 Implementation Example 4-7 Is a starting compound, 2-methyl-4-oxo-2-cyclohexene carboxylate wherein (2), R1 = H, R2 = CH3] N of (730 mg), N-dimethylacetamide (DMA; bp.165 ) solution (4mL) taken up in the reactor, a further 10% palladium charcoal (50% moisture; plus 100mg). The amount after the reaction system was reacted for 2 hours while heating and stirring at 0.99 ° C., the amount of the raw material 4-hydroxy-2-methylbenzoic acid methyl in the reaction mixture (target compound (1)) (2) It was analyzed by HPLC. As a result, the yield of the objective compound (1) is 94.8% residual ratio of the starting compound (2) was 0.1%.
Reference： [1]Kang, Sein; Kim, Dahye; In, Ik Joon; Koo, Sangho [Tetrahedron Letters, 2017, vol. 58, # 23, p. 2264 - 2266]
[2]Bhattacharya, Kalyan K.; Pal, Panchanan; Ghosh, Kalpana; Sen, P. K. [Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1980, vol. 19, # 3, p. 191 - 194]
[3]Current Patent Assignee: NANKAI CHEMICAL CO.,LTD. - JP2015/63488, 2015, A Location in patent: Paragraph 0051-0052
  • 14
  • [ 6102-15-4 ]
  • 3,4-Dihydroxy-2,6-dimethyl-benzoic acid ethyl ester [ No CAS ]
  • 1-Hydroxy-2,6-dimethyl-4-oxo-cyclohex-2-enecarboxylic acid ethyl ester [ No CAS ]
YieldReaction ConditionsOperation in experiment
1: 62% 2: 1% With potassium fluoride; oxygen In dimethyl sulfoxide at 60℃;
Reference： [1]Irie, Hiroshi; Katakawa, Jun'ichi; Tomita, Masako; Mizuno, Yukio [Chemistry Letters, 1981, p. 637 - 640]
  • 15
  • [ 6102-15-4 ]
  • [ 107-21-1 ]
  • [ 76184-64-0 ]
YieldReaction ConditionsOperation in experiment
66 g With toluene-4-sulfonic acid In benzene for 40h; Heating;
Reference： [1]Lafontaine, Jacques; Mongrain, Marcel; Sergent-Guay, Mireille; Ruest, Luc; Deslongchamps, Pierre [Canadian Journal of Chemistry, 1980, vol. 58, p. 2460 - 2476]
  • 16
  • [ 6102-15-4 ]
  • 4-Hydroxy-2,6-dimethyl-cyclohex-2-enecarboxylic acid ethyl ester [ No CAS ]
YieldReaction ConditionsOperation in experiment
With sodium tetrahydroborate
Reference： [1]Chong, Byong-Don; Ji, Tong-Il; Oh, Seong-Soo; Yang, Jae-Deuk; Baik, Woonphil; Koo, Sangho [Journal of Organic Chemistry, 1997, vol. &lt;26&gt; 62, p. 9323 - 9325]
YieldReaction ConditionsOperation in experiment
With water at 140℃; im geschlossenen Rohr;
With sodium ethanolate
YieldReaction ConditionsOperation in experiment
at 0℃; Erwaermen des Produkts; unter Abspaltung von HBr;
  • 23
  • [ 6102-15-4 ]
  • [ 77-78-1 ]
  • [ 100667-93-4 ]
YieldReaction ConditionsOperation in experiment
64% With potassium carbonate In acetone for 48h; Heating;
Reference： [1]Martin, Philippe; Rodier, Stephane; Mondon, Martine; Renoux, Brigitte; Pfeiffer, Bruno; Renard, Pierre; Pierre, Alain; Gesson, Jean-Pierre [Bioorganic and Medicinal Chemistry, 2002, vol. 10, # 2, p. 253 - 260]
  • 24
  • [ 6102-15-4 ]
  • [ 555-16-8 ]
  • 4-hydroxy-2,6-dimethyl-3-(4-nitrobenzyl)benzoic acid ethyl ester [ No CAS ]
YieldReaction ConditionsOperation in experiment
65% With (S)-2-(1-pyrrolidinylmethyl)pyrrolidine In N,N-dimethyl-formamide at 25℃;
65% With (S)-2-(1-pyrrolidinylmethyl)pyrrolidine In dimethyl sulfoxide at 25℃; for 12h; regioselective reaction;
Reference： [1]Ramachary, Dhevalapally B.; Ramakumar; Kishor [Tetrahedron Letters, 2005, vol. 46, # 41, p. 7037 - 7042]
[2]Location in patent: experimental part Ramachary, Dhevalapally B.; Ramakumar, Kinthada; Bharanishashank, Adluri; Narayana, Vidadala V. [Journal of Combinatorial Chemistry, 2010, vol. 12, # 6, p. 855 - 876]
  • 25
  • [ 6102-15-4 ]
  • [ 105-07-7 ]
  • 3-(4-cyanobenzyl)-4-hydroxy-2,6-dimethylbenzoic acid ethyl ester [ No CAS ]
YieldReaction ConditionsOperation in experiment
50% With (S)-2-(1-pyrrolidinylmethyl)pyrrolidine In N,N-dimethyl-formamide at 25℃;
50% With (S)-2-(1-pyrrolidinylmethyl)pyrrolidine In dimethyl sulfoxide at 25℃; for 12h; regioselective reaction;
Reference： [1]Ramachary, Dhevalapally B.; Ramakumar; Kishor [Tetrahedron Letters, 2005, vol. 46, # 41, p. 7037 - 7042]
[2]Location in patent: experimental part Ramachary, Dhevalapally B.; Ramakumar, Kinthada; Bharanishashank, Adluri; Narayana, Vidadala V. [Journal of Combinatorial Chemistry, 2010, vol. 12, # 6, p. 855 - 876]
  • 26
  • [ 123-75-1 ]
  • [ 6102-15-4 ]
  • [ 586-96-9 ]
  • 4-hydroxy-2,6-dimethyl-3-phenylamino-benzoic acid ethyl ester [ No CAS ]
  • 2,6-dimethyl-3-phenylamino-4-pyrrolidin-1-yl-benzoic acid ethyl ester [ No CAS ]
YieldReaction ConditionsOperation in experiment
75% With 4 A molecular sieve In ethanol at 25℃;
Reference： [1]Ramachary, Dhevalapally B.; Ramakumar, Kinthada; Narayana, Vidadala V. [Journal of Organic Chemistry, 2007, vol. 72, # 4, p. 1458 - 1463]
  • 27
  • [ 6102-15-4 ]
  • [ 586-96-9 ]
  • 4-hydroxy-2,6-dimethyl-3-phenylamino-benzoic acid ethyl ester [ No CAS ]
YieldReaction ConditionsOperation in experiment
90% With pyrrolidine In dimethyl sulfoxide at 25℃;
Stage #1: 2,6-dimethyl-4-oxo-cyclohex-2-enecarboxylic acid ethyl ester With piperidine In N,N-dimethyl-formamide at 25℃; for 0.5h; Stage #2: Nitrosobenzene In N,N-dimethyl-formamide at 25℃; for 1h;
Reference： [1]Ramachary, Dhevalapally B.; Ramakumar, Kinthada; Narayana, Vidadala V. [Journal of Organic Chemistry, 2007, vol. 72, # 4, p. 1458 - 1463]
[2]Ramachary, Dhevalapally B.; Narayana, Vidadala V.; Prasad, M. Shiva; Ramakumar, Kinthada [Organic and Biomolecular Chemistry, 2009, vol. 7, # 17, p. 3372 - 3378]
  • 28
  • [ 6102-15-4 ]
  • [ 32622-01-8 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 66 g / p-toluenesulfonic acid / benzene / 40 h / Heating 2: 48 g / lithium aluminium hydride / diethyl ether; tetrahydrofuran / 10 h / Heating
Reference： [1]Lafontaine, Jacques; Mongrain, Marcel; Sergent-Guay, Mireille; Ruest, Luc; Deslongchamps, Pierre [Canadian Journal of Chemistry, 1980, vol. 58, p. 2460 - 2476]
  • 29
  • [ 6102-15-4 ]
  • [ 67543-92-4 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: aq.-ethanolic NaOH / anschliessend mit wss. H2SO4
Reference： [1]Ciocca; Scattola [Gazzetta Chimica Italiana, 1936, vol. 66, p. 394,397]
  • 30
  • [ 6102-15-4 ]
  • [ 93445-22-8 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: sodium amide; liquid ammonia / Erwaermen des nach Zusatz von Aether vom Ammoniak befreiten Reaktionsgemisches mit Aethyljodid in Aether und Toluol 2: aq.-ethanolic NaOH / Ansaeuern mit wss. H2SO4 und erneuten Kochen
Reference： [1]Horning; Horning; Walker [Journal of the American Chemical Society, 1949, vol. 71, p. 169]
  • 31
  • [ 6102-15-4 ]
  • [ 93445-26-2 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: Reaktion ueber 2 Stufen 2: aq.-ethanolic NaOH / anschliessend Behandeln mit wss. H2SO4
Reference： [1]Horning; Horning; Walker [Journal of the American Chemical Society, 1949, vol. 71, p. 169]
  • 32
  • [ 6102-15-4 ]
  • 2,4-dimethyl-1,2,3,4-tetrahydro-carbazole-3-carboxylic acid [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: palladium/charcoal / Hydrogenation.anschliessend mit heisser wss.-aethanol. Natronlauge behandeln 2: acetic acid
Reference： [1]Horning et al. [Journal of the American Chemical Society, 1948, vol. 70, p. 3935]
  • 33
  • [ 6102-15-4 ]
  • [ 106-95-6 ]
  • [ 586-96-9 ]
  • [ 928312-75-8 ]
YieldReaction ConditionsOperation in experiment
90% Stage #1: 2,6-dimethyl-4-oxo-cyclohex-2-enecarboxylic acid ethyl ester; Nitrosobenzene With piperidine In N,N-dimethyl-formamide at 25℃; for 1.5h; Stage #2: allyl bromide With potassium carbonate In N,N-dimethyl-formamide at 25℃; for 24h;
Reference： [1]Ramachary, Dhevalapally B.; Narayana, Vidadala V.; Ramakumar, Kinthada [European Journal of Organic Chemistry, 2008, # 23, p. 3907 - 3911]
  • 34
  • [ 6102-15-4 ]
  • [ 1097633-92-5 ]
YieldReaction ConditionsOperation in experiment
50% Stage #1: 2,6-dimethyl-4-oxo-cyclohex-2-enecarboxylic acid ethyl ester With benzylamine In dimethyl sulfoxide Stage #2: With 4-toluenesulfonyl azide In dimethyl sulfoxide at 25℃;
Reference： [1]Ramachary, Dhevalapally B.; Ramakumar, Kinthada; Narayana, Vidadala V. [Chemistry - A European Journal, 2008, vol. 14, # 30, p. 9143 - 9147]
  • 35
  • [ 6102-15-4 ]
  • [ 1097633-77-6 ]
YieldReaction ConditionsOperation in experiment
65% Stage #1: 2,6-dimethyl-4-oxo-cyclohex-2-enecarboxylic acid ethyl ester With <i>L</i>-proline In dimethyl sulfoxide at 25℃; for 0.25h; Stage #2: With 4-toluenesulfonyl azide In dimethyl sulfoxide at 25℃;
Reference： [1]Ramachary, Dhevalapally B.; Ramakumar, Kinthada; Narayana, Vidadala V. [Chemistry - A European Journal, 2008, vol. 14, # 30, p. 9143 - 9147]
  • 36
  • [ 5586-13-0 ]
  • [ 6102-15-4 ]
  • ethyl 4,6-dimethyl-1-(4-(trifluoromethyl)phenyl)-6,7-dihydro-1H-benzo[d][1,2,3]triazole-5-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
90% With pyrrolidine In dimethyl sulfoxide at 25℃; for 4h; regioselective reaction;
Reference： [1]Ramachary, Dhevalapally B.; Shashank, Adluri B. [Chemistry - A European Journal, 2013, vol. 19, # 39, p. 13175 - 13181]
  • 37
  • [ 6102-15-4 ]
  • C11H16O2S [ No CAS ]
YieldReaction ConditionsOperation in experiment
73% With Lawessons reagent In tetrahydrofuran at 20℃; for 72h; Inert atmosphere;
Reference： [1]Kim, Minsoo; Jung, Hyunuk; Aragonès, Albert C.; Díez-Pérez, Ismael; Ahn, Kwang-Hyun; Chung, Wook-Jin; Kim, Dahye; Koo, Sangho [Organic Letters, 2018, vol. 20, # 2, p. 493 - 496]
  • 38
  • [ 6102-15-4 ]
  • [ 2320-30-1 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1.1: sodium hydroxide / water; methanol / 2 h / 100 °C 1.2: 2 h / 85 °C / pH > 2 2.1: palladium 10% on activated carbon; hydrogen / methanol / 0.5 h / 25 °C / 18751.9 Torr / Autoclave
Reference： [1]Current Patent Assignee: SHANGHAI MUSE HEALTH TECH - CN111484393, 2020, A
  • 39
  • [ 6102-15-4 ]
  • [ 5441-52-1 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: sodium hydroxide / water; methanol / 2 h / 100 °C 1.2: 2 h / 85 °C / pH > 2 2.1: palladium 10% on activated carbon; hydrogen / methanol / 0.5 h / 25 °C / 18751.9 Torr / Autoclave 3.1: borane tert-butylamine / dichloromethane / 0.5 h / 35 °C
Reference： [1]Current Patent Assignee: SHANGHAI MUSE HEALTH TECH - CN111484393, 2020, A
  • 40
  • [ 6102-15-4 ]
  • p-nitrobenzoic acid-3,5-dimethylcyclohexyl ester [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1.1: sodium hydroxide / water; methanol / 2 h / 100 °C 1.2: 2 h / 85 °C / pH > 2 2.1: palladium 10% on activated carbon; hydrogen / methanol / 0.5 h / 25 °C / 18751.9 Torr / Autoclave 3.1: borane tert-butylamine / dichloromethane / 0.5 h / 35 °C 4.1: dmap; dicyclohexyl-carbodiimide / dichloromethane / 5 h / 40 °C
Reference： [1]Current Patent Assignee: SHANGHAI MUSE HEALTH TECH - CN111484393, 2020, A
  • 41
  • [ 6102-15-4 ]
  • [ 767-13-5 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 5 steps 1.1: sodium hydroxide / water; methanol / 2 h / 100 °C 1.2: 2 h / 85 °C / pH > 2 2.1: palladium 10% on activated carbon; hydrogen / methanol / 0.5 h / 25 °C / 18751.9 Torr / Autoclave 3.1: borane tert-butylamine / dichloromethane / 0.5 h / 35 °C 4.1: dmap; dicyclohexyl-carbodiimide / dichloromethane / 5 h / 40 °C 5.1: water; methanol; sodium hydroxide / tetrahydrofuran / 1 h / 60 °C
Reference： [1]Current Patent Assignee: SHANGHAI MUSE HEALTH TECH - CN111484393, 2020, A

Tags: 6102-15-4 synthesis path| 6102-15-4 SDS| 6102-15-4 COA| 6102-15-4 purity| 6102-15-4 application| 6102-15-4 NMR| 6102-15-4 COA| 6102-15-4 structure

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