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[ CAS No. 556-52-5 ] {[proInfo.proName]}

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Chemical Structure| 556-52-5
Chemical Structure| 556-52-5
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Product Details of [ 556-52-5 ]

CAS No. :556-52-5 MDL No. :MFCD00005147
Formula : C3H6O2 Boiling Point : -
Linear Structure Formula :- InChI Key :CTKINSOISVBQLD-UHFFFAOYSA-N
M.W :74.08 Pubchem ID :11164
Synonyms :

Safety of [ 556-52-5 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P201-P202-P210-P260-P264-P270-P271-P280-P284-P301+P312+P330-P302+P352+P312-P304+P340+P310-P305+P351+P338-P308+P311-P332+P313-P337+P313-P370+P378-P403+P233-P403+P235-P405-P501 UN#:2810
Hazard Statements:H227-H302+H312-H315-H319-H330-H335-H341-H350-H360-H371 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 556-52-5 ]

* 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 [ 556-52-5 ]
  • Downstream synthetic route of [ 556-52-5 ]

[ 556-52-5 ] Synthesis Path-Upstream   1~22

  • 1
  • [ 58-55-9 ]
  • [ 556-52-5 ]
  • [ 479-18-5 ]
Reference: [1] Archiv der Pharmazie (Weinheim, Germany), 1959, vol. 292, p. 234,236,237
  • 2
  • [ 556-52-5 ]
  • [ 20825-98-3 ]
  • [ 59288-38-9 ]
Reference: [1] Patent: US4774325, 1988, A,
  • 3
  • [ 288-13-1 ]
  • [ 556-52-5 ]
  • [ 98484-49-2 ]
Reference: [1] Heterocycles, 1998, vol. 48, # 4, p. 617 - 620
  • 4
  • [ 288-32-4 ]
  • [ 556-52-5 ]
  • [ 34793-28-7 ]
Reference: [1] Patent: US2006/135584, 2006, A1, . Location in patent: Page/Page column 3
  • 5
  • [ 556-52-5 ]
  • [ 616-30-8 ]
Reference: [1] Patent: EP1201644, 2002, A2, . Location in patent: Page 15-16; 21-23
[2] Patent: DE107510, , ,
[3] Chemische Berichte, 1899, vol. 32, p. 752
  • 6
  • [ 7664-41-7 ]
  • [ 556-52-5 ]
  • [ 616-30-8 ]
Reference: [1] Patent: DE107510, , ,
[2] Chemische Berichte, 1899, vol. 32, p. 752
  • 7
  • [ 334-48-5 ]
  • [ 556-52-5 ]
  • [ 2277-23-8 ]
Reference: [1] JAOCS, Journal of the American Oil Chemists' Society, 2014, vol. 91, # 2, p. 337 - 348
  • 8
  • [ 556-52-5 ]
  • [ 74-89-5 ]
  • [ 40137-22-2 ]
YieldReaction ConditionsOperation in experiment
98.99% at 55℃; for 0.666667 h; Autoclave; Green chemistry second, synthesis of 3-methylamino-1, 2-propanediol (1) pressure test the reactor pressure test, all the test indicators all qualified before use. (2) Feeding open the hydraulic vacuum pump, the vacuum autoclave vacuum, when the inside kettle vacuum reaches up to 0.03MPa, the glycidol and liquid mono-methylamine are added to the high pressure reactor at a molar ratio of 1:10. (3) amination reaction The kettle temperature rose at 50 ° C ± 5 ° C, the pressure control at 4.1-4 · 2Mpa, and carry on reaction for 40 minutes. (4) Recovery of mono-methylamine in the vacuum under 0.080MPa conditions open mono-methylamine recovery device, recover mono-methylamine to the tank for reuse.(5) Distillation1) before distillation fractionThe autoclave was cooled less 30 ° C with a vacuum inside the autoclave was pumped into the reaction waste still, first open the water jet vacuum pump, into a jacketed steam into the distillation pot, inside the autoclave was heated, the autoclave to control the degree of vacuum from 0.06 to 0.07 MPa, reduce was observed when the condensate reg first and then the drop of outflow, the vacuum apparatus is switched to a high vacuum Roots - water ring units, carefully observe the change in the value of the digital vacuum gauge vacuum, adjusting the receiving tank a vacuum degree of 0.0990 ~ 0.0998MPa, 98.0 deg.] C before the gas-phase temperature of the condensate fraction prior to distillation in the next batch of crude product.2) the distillation of the desired productWhen the vapor temperature exceeds 98.1 deg.] C, handover, switching to the finished condensate tank to maintain the degree of vacuum of 0.0990 ~ 0.0998Mpa, vapor temperature of condensate 98.1-101.0 as the desired product, ie, 3-amino- 1, propanediol3-Methyl-1,2-propanediol yield 98.99percent, purity 99.96percent, impurity content was 0.04percent, a moisture content of 0.35percent is a colorless transparent viscous liquid.
Reference: [1] Patent: CN104844463, 2016, B, . Location in patent: Paragraph 0186-0200
[2] Patent: EP1201644, 2002, A2, . Location in patent: Page 17-20
[3] Chemische Berichte, 1899, vol. 32, p. 752
  • 9
  • [ 556-52-5 ]
  • [ 40137-22-2 ]
YieldReaction ConditionsOperation in experiment
76% With methylamine In water A.
N-Methyl-1-amino-2,3-propandiol (45A)
Methylamine (172ml of a 40percent solution in water, 2 mol) was cooled to 0 °C and 2,3-epoxy-1-propanol (25g, 0.34mol) was added at a rate to maintain the temperature at or below 10 °C.
The mixture was stirred for 3 hours at 0 °C.
Excess methylamine and water was evaporated in vacuo and the product was purified by distillation at 103-105 °C, at 0.5 mm Hg, to give 25.6g (76percent) of the title compound.
Reference: [1] Patent: US5874624, 1999, A,
[2] Patent: EP804456, 2002, B1,
  • 10
  • [ 556-52-5 ]
  • [ 74-89-5 ]
  • [ 40137-22-2 ]
  • [ 77697-86-0 ]
Reference: [1] Chemische Berichte, 1899, vol. 32, p. 756
  • 11
  • [ 556-52-5 ]
  • [ 623-57-4 ]
Reference: [1] Patent: EP649834, 1995, A1,
  • 12
  • [ 556-52-5 ]
  • [ 124-40-3 ]
  • [ 623-57-4 ]
Reference: [1] Journal of the American Chemical Society, 1930, vol. 52, p. 1521,1527
[2] Chemische Berichte, 1899, vol. 32, p. 756
  • 13
  • [ 108-01-0 ]
  • [ 556-52-5 ]
  • [ 623-57-4 ]
Reference: [1] Journal of Organic Chemistry, 1991, vol. 56, # 8, p. 2755 - 2758
  • 14
  • [ 1184951-72-1 ]
  • [ 556-52-5 ]
  • [ 592-35-8 ]
  • [ 1184951-74-3 ]
Reference: [1] Patent: US2009/214444, 2009, A1,
  • 15
  • [ 556-52-5 ]
  • [ 95-48-7 ]
  • [ 59-47-2 ]
YieldReaction ConditionsOperation in experiment
0.7 g at 20℃; for 5 h; Sodium hydroxide (0.37 g) and tetrabutylammonium bromide (0.30 g) were added to 2-methylphenol (1.00 g) and stirred at room temperature. Glycidol (0.75 g) was added and stirred again at 50 ° C for 5 hours The extract was dried over anhydrous sodium sulfate and concentrated under reduced pressure. The residue (1.49 g) was purified by silica gel column chromatography Respectively. Eluting with a mixture of hexane / ethyl acetate = 1/1, and concentration under reduced pressure to obtain the product (0.47 g). The obtained product was confirmed to be a compound having UV absorption by HPTLC analysis and is considered to be 1,2-di-hydroxy-3- (2'-methylphenoxy) propyl represented by the following structural formula from the raw material.
Reference: [1] Chemical Communications, 2013, vol. 49, # 52, p. 5886 - 5888
[2] Patent: KR2015/74160, 2015, A, . Location in patent: Paragraph 0158-0160
  • 16
  • [ 556-52-5 ]
  • [ 108-68-9 ]
  • [ 59365-66-1 ]
YieldReaction ConditionsOperation in experiment
75% With triethylamine In ethanol for 7 h; Reflux A mixture of 3,5-dimethylphenol (5.00 g, 40.93 mmol), (+-)-glycidol (2.72 mL, 41.01 mmol), triethylamine (0.29 mL, 2.08 mmol) and ethanol (25 mL) was heated at reflux for about 7 hours.
After ethanol was removed in vacuo, the resulting residue was purified by silica gel column chromatography (25percent ethyl acetate in petroleum ether) to give the title product as a white solid (6.00 g, 75percent).
m.p. 47-49° C.; 1H NMR (400 MHz, CDCl3) δ 2.28 (s, 6H), 3.68-3.87 (m, 2H), 3.94-4.04 (m, 2H), 4.04-4.12 (m, 1H), 6.55 (s, 2H), 6.62 (s, 1H); IR (film) υ 3383, 2923, 2875, 1600, 1462, 1324 cm-1; MS 197 (M+1).
Reference: [1] Patent: US2009/270469, 2009, A1, . Location in patent: Page/Page column 27-28
  • 17
  • [ 31127-80-7 ]
  • [ 556-52-5 ]
  • [ 66108-95-0 ]
Reference: [1] Patent: US5847212, 1998, A,
[2] Organic Process Research and Development, 2001, vol. 5, # 5, p. 472 - 478
  • 18
  • [ 556-52-5 ]
  • [ 90-05-1 ]
  • [ 14007-09-1 ]
  • [ 93-14-1 ]
YieldReaction ConditionsOperation in experiment
95% With calcined hydrotalcite In tetrahydrofuran at 120℃; for 4 h; Autoclave In a typical reaction, autoclave reactor (details included in sup-porting information) was charged with guaiacol (0.0081 mol), gly-cidol (0.020 mol), tetrahydrofuran (THF) (10 mL) and 0.03 g mL−1(0.9 g) of the catalyst. The total organic phase volume was made to30 mL with THF. An initial sample was taken at the desired temperature. The reaction mixture was stirred with mechanical stirrer atthe desired speed, and samples were collected periodically. For control reaction, speed of agitation was 1000 rpm and temperature was 120°C at self-generated pressure. Reaction samples were analyzed by HPLC (details included in supporting information). Synthesis of guaifenesin (3-(2-methoxyphenoxy)propane-1,2-diol) andbyproduct (2-(2-methoxyphenoxy)propane-1,3-diol) from condensation reaction of guaiacol and glycidol is shown in Scheme 1.
Reference: [1] Catalysis Today, 2017, vol. 291, p. 213 - 222
  • 19
  • [ 556-52-5 ]
  • [ 90-05-1 ]
  • [ 93-14-1 ]
Reference: [1] Chirality, 2016, vol. 28, # 4, p. 313 - 318
[2] Organic Process Research and Development, 2012, vol. 16, # 10, p. 1660 - 1664
[3] Chemical Communications, 2013, vol. 49, # 52, p. 5886 - 5888
[4] Physical Chemistry Chemical Physics, 2017, vol. 19, # 41, p. 28302 - 28312
  • 20
  • [ 556-52-5 ]
  • [ 98-59-9 ]
  • [ 70987-78-9 ]
  • [ 113826-06-5 ]
Reference: [1] Patent: CN105418546, 2016, A, . Location in patent: Paragraph 0100; 0101; 0102
  • 21
  • [ 556-52-5 ]
  • [ 593-81-7 ]
  • [ 34004-36-9 ]
Reference: [1] Bioconjugate Chemistry, 2010, vol. 21, # 2, p. 360 - 371
  • 22
  • [ 556-52-5 ]
  • [ 98-59-9 ]
  • [ 70987-78-9 ]
  • [ 113826-06-5 ]
Reference: [1] Patent: CN105418546, 2016, A, . Location in patent: Paragraph 0100; 0101; 0102
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