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[ CAS No. 5306-85-4 ]

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2D
Chemical Structure| 5306-85-4
Chemical Structure| 5306-85-4
Structure of 5306-85-4 *Storage: {[proInfo.prStorage]}

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Product Details of [ 5306-85-4 ]

CAS No. :5306-85-4MDL No. :MFCD00064828
Formula : C8H14O4 Boiling Point : 93-95°C at 0.1 mmHg
Linear Structure Formula :-InChI Key :N/A
M.W :174.19Pubchem ID :62990
Synonyms :

Computed Properties of [ 5306-85-4 ]

TPSA : 36.9 H-Bond Acceptor Count : 4
XLogP3 : -0.6 H-Bond Donor Count : 0
SP3 : 1.00 Rotatable Bond Count : 2

Safety of [ 5306-85-4 ]

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

Application In Synthesis of [ 5306-85-4 ]

  • Upstream synthesis route of [ 5306-85-4 ]
  • Downstream synthetic route of [ 5306-85-4 ]

[ 5306-85-4 ] Synthesis Path-Upstream   1~21

  • 1
  • [ 50-70-4 ]
  • [ 616-38-6 ]
  • [ 641-74-7 ]
  • [ 641-74-7 ]
  • [ 5306-85-4 ]
Reference: [1] ChemSusChem, 2017, vol. 10, # 1, p. 53 - 57
  • 2
  • [ 616-38-6 ]
  • [ 652-67-5 ]
  • [ 5306-85-4 ]
Reference: [1] ChemSusChem, 2010, vol. 3, # 5, p. 566 - 570
[2] Patent: US2009/253920, 2009, A1, . Location in patent: Page/Page column 3
[3] Patent: WO2012/15616, 2012, A1, . Location in patent: Page/Page column 23
  • 3
  • [ 110-71-4 ]
  • [ 652-67-5 ]
  • [ 162426-86-0 ]
  • [ 6941-54-4 ]
  • [ 5306-85-4 ]
YieldReaction ConditionsOperation in experiment
21% at 150℃; for 5 h; The isosorbide, 1,2-dimethoxyethane, and heteropolyacid were charged into a stainless steel reaction kettle, the autoclave was sealed,The reaction was magnetically stirred at 150 ° C for 5 hours. Wherein the molar ratio of 1,2-dimethoxyethane to isosorbide is 20: 1, heteropoly acidAnd the mass ratio of isosorbide was 0.2: 1. After the reactor was cooled to room temperature, the reaction solution was analyzed by gas chromatography. IsosorbideThe conversion and the yield of its methylated product were calculated in terms of mole percent (molpercent) according to gas chromatography internal standard method.
Reference: [1] Patent: CN105646514, 2016, A, . Location in patent: Paragraph 0041; 0042; 0043; 0044; 0045; 0046
[2] RSC Advances, 2015, vol. 5, # 31, p. 24139 - 24143
  • 4
  • [ 150-78-7 ]
  • [ 652-67-5 ]
  • [ 162426-86-0 ]
  • [ 6941-54-4 ]
  • [ 5306-85-4 ]
YieldReaction ConditionsOperation in experiment
17% at 130℃; for 15 h; Isosorbide,Methyl etherate and acid catalystAmberlyst-35 was put into a stainless steel reaction kettle,Closed reactor,130 ° C magnetic stirring for 15 hours. among them,The molar ratio of methylating reagent and isosorbide was 50: 1,The mass ratio of catalyst Amberlyst-35 to isosorbide was 0.5: 1. After the reactor was cooled to room temperature,The reaction solution was analyzed by gas chromatography. The conversion of isosorbide and its methylated product yield were calculated by gas chromatography internal standard method,In mole percent.
Reference: [1] Patent: CN105646514, 2016, A, . Location in patent: Paragraph 0029; 0030; 0031; 0032; 0033; 0034
  • 5
  • [ 109-87-5 ]
  • [ 652-67-5 ]
  • [ 162426-86-0 ]
  • [ 6941-54-4 ]
  • [ 5306-85-4 ]
YieldReaction ConditionsOperation in experiment
15% at 130℃; for 15 h; Isosorbide,Methyl etherate and acid catalystAmberlyst-35 was put into a stainless steel reaction kettle,Closed reactor,130 ° C magnetic stirring for 15 hours. among them,The molar ratio of methylating reagent and isosorbide was 50: 1,The mass ratio of catalyst Amberlyst-35 to isosorbide was 0.5: 1. After the reactor was cooled to room temperature,The reaction solution was analyzed by gas chromatography. The conversion of isosorbide and its methylated product yield were calculated by gas chromatography internal standard method,In mole percent.
Reference: [1] Patent: CN105646514, 2016, A, . Location in patent: Paragraph 0029; 0030; 0031; 0032; 0033; 0034
  • 6
  • [ 100-66-3 ]
  • [ 652-67-5 ]
  • [ 162426-86-0 ]
  • [ 6941-54-4 ]
  • [ 5306-85-4 ]
YieldReaction ConditionsOperation in experiment
18% at 130℃; for 15 h; Isosorbide,Methyl etherate and acid catalystAmberlyst-35 was put into a stainless steel reaction kettle,Closed reactor,130 ° C magnetic stirring for 15 hours. among them,The molar ratio of methylating reagent and isosorbide was 50: 1,The mass ratio of catalyst Amberlyst-35 to isosorbide was 0.5: 1. After the reactor was cooled to room temperature,The reaction solution was analyzed by gas chromatography. The conversion of isosorbide and its methylated product yield were calculated by gas chromatography internal standard method,In mole percent.
Reference: [1] Patent: CN105646514, 2016, A, . Location in patent: Paragraph 0029; 0030; 0031; 0032; 0033; 0034
  • 7
  • [ 67-56-1 ]
  • [ 652-67-5 ]
  • [ 5306-85-4 ]
Reference: [1] Patent: US2015/203507, 2015, A1, . Location in patent: Paragraph 0125-0138
  • 8
  • [ 109-87-5 ]
  • [ 111-96-6 ]
  • [ 652-67-5 ]
  • [ 162426-86-0 ]
  • [ 6941-54-4 ]
  • [ 5306-85-4 ]
YieldReaction ConditionsOperation in experiment
18% at 100℃; for 3 h; The isosorbide, dimethoxymethane, diethylene glycol dimethyl ether and phosphorus tungsten heteropoly acid into the reaction of stainless steel Kettle, closed reactor, magnetic stirring, at 100 ° C reaction. Among them, the molar ratio of dimethoxymethane and isosorbideIs 30: 1, the molar ratio of diethylene glycol dimethyl ether and isosorbide is 0.5: 1, the mass ratio of phosphotungstic acid to isosorbide is0.5: 1. After the reactor was cooled to room temperature, the reaction solution was analyzed by gas chromatography. Conversion of isosorbide and its methylated product. The yield was calculated according to the gas chromatography internal standard method and expressed in mole percent (ppm).
Reference: [1] Patent: CN105646514, 2016, A, . Location in patent: Paragraph 0053; 0054; 0055; 0056; 0057; 0058
  • 9
  • [ 111-96-6 ]
  • [ 652-67-5 ]
  • [ 162426-86-0 ]
  • [ 6941-54-4 ]
  • [ 5306-85-4 ]
YieldReaction ConditionsOperation in experiment
14% at 200℃; for 2 h; The isosorbide, diglyme, and acidic catalyst silicotungstic acid were charged into a stainless steel reaction kettle,Sealed reactor, a certain temperature magnetic stirring reaction for 2 hours. Wherein the molar ratio of diethylene glycol dimethyl ether to isosorbide20: 1, and the mass ratio of silicotungsten heteropoly acid to isosorbide was 0.01: 1. The reactor was cooled to room temperature and gas was usedThe reaction solution was analyzed by phase chromatography. The conversion of isosorbide and its methylated product yield were calculated by gas chromatography internal standard method.
Reference: [1] Patent: CN105646514, 2016, A, . Location in patent: Paragraph 0047; 0048; 0049; 0050; 0051; 0052
  • 10
  • [ 50-70-4 ]
  • [ 616-38-6 ]
  • [ 641-74-7 ]
  • [ 641-74-7 ]
  • [ 5306-85-4 ]
Reference: [1] ChemSusChem, 2017, vol. 10, # 1, p. 53 - 57
  • 11
  • [ 50-70-4 ]
  • [ 616-38-6 ]
  • [ 5306-85-4 ]
Reference: [1] ChemSusChem, 2017, vol. 10, # 1, p. 53 - 57
  • 12
  • [ 512-56-1 ]
  • [ 652-67-5 ]
  • [ 5306-85-4 ]
Reference: [1] ChemSusChem, 2018, vol. 11, # 3, p. 547 - 551
  • 13
  • [ 112-49-2 ]
  • [ 652-67-5 ]
  • [ 162426-86-0 ]
  • [ 6941-54-4 ]
  • [ 5306-85-4 ]
Reference: [1] Patent: CN105646514, 2016, A, . Location in patent: Paragraph 0029; 0030; 0031; 0032; 0033; 0034
  • 14
  • [ 616-38-6 ]
  • [ 652-67-5 ]
  • [ 1235553-26-0 ]
  • [ 1235553-25-9 ]
  • [ 1235553-24-8 ]
  • [ 5306-85-4 ]
Reference: [1] ChemSusChem, 2010, vol. 3, # 5, p. 566 - 570
  • 15
  • [ 1235553-24-8 ]
  • [ 5306-85-4 ]
Reference: [1] Comptes Rendus Chimie, 2011, vol. 14, # 7-8, p. 652 - 655
  • 16
  • [ 616-38-6 ]
  • [ 652-67-5 ]
  • [ 1235553-26-0 ]
  • [ 1235553-25-9 ]
  • [ 5306-85-4 ]
Reference: [1] ChemSusChem, 2010, vol. 3, # 5, p. 566 - 570
  • 17
  • [ 67-56-1 ]
  • [ 652-67-5 ]
  • [ 162426-86-0 ]
  • [ 6941-54-4 ]
  • [ 5306-85-4 ]
Reference: [1] Patent: US9321783, 2016, B2, . Location in patent: Page/Page column 10-11
  • 18
  • [ 616-38-6 ]
  • [ 652-67-5 ]
  • [ 1235553-26-0 ]
  • [ 1235553-25-9 ]
  • [ 1235553-24-8 ]
  • [ 162426-86-0 ]
  • [ 6941-54-4 ]
  • [ 5306-85-4 ]
Reference: [1] ChemSusChem, 2010, vol. 3, # 5, p. 566 - 570
  • 19
  • [ 53648-56-9 ]
  • [ 5306-85-4 ]
Reference: [1] Journal of the Chemical Society, 1946, p. 390,392
  • 20
  • [ 7625-23-2 ]
  • [ 5306-85-4 ]
Reference: [1] Journal of the Chemical Society, 1946, p. 390,392
  • 21
  • [ 77-78-1 ]
  • [ 652-67-5 ]
  • [ 5306-85-4 ]
Reference: [1] Journal of the Chemical Society, 1946, p. 390,392
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