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Chemistry
Organic Building Blocks
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Chlorobenzene
Chlorphenesin
Chemistry
Organic Building Blocks
Aryls
Chlorides Ethers Alcohols Benzene Compounds
Chlorobenzene
benzyl

[ CAS No. 104-29-0 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
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Quality Control of [ 104-29-0 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification
Alternatived Products of [ 104-29-0 ]

Product Details of [ 104-29-0 ]

CAS No. :104-29-0 MDL No. :MFCD00021990
Formula : C9H11ClO3 Boiling Point : -
Linear Structure Formula :- InChI Key :MXOAEAUPQDYUQM-UHFFFAOYSA-N
M.W : 202.63 Pubchem ID :7697
Synonyms :
Chemical Name :3-(4-Chlorophenoxy)-1,2-propanediol

Calculated chemistry of [ 104-29-0 ]

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.33
Num. rotatable bonds : 4
Num. H-bond acceptors : 3.0
Num. H-bond donors : 2.0
Molar Refractivity : 49.88
TPSA : 49.69 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) : -6.59 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.8
Log Po/w (XLOGP3) : 1.33
Log Po/w (WLOGP) : 1.07
Log Po/w (MLOGP) : 1.22
Log Po/w (SILICOS-IT) : 1.75
Consensus Log Po/w : 1.43

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.01
Solubility : 1.97 mg/ml ; 0.00973 mol/l
Class : Soluble
Log S (Ali) : -1.97
Solubility : 2.15 mg/ml ; 0.0106 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.47
Solubility : 0.691 mg/ml ; 0.00341 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.17

Safety of [ 104-29-0 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H312-H315-H319-H332-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 104-29-0 ]

* 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 [ 104-29-0 ]

[ 104-29-0 ] Synthesis Path-Downstream   1~86

  • 1
  • [ 104-29-0 ]
  • [ 39735-79-0 ]
Reference： [1]Patent: CH247177,1945,
  • 2
  • [ 104-29-0 ]
  • [ 43018-72-0 ]
Reference： [1]Synthesis,1989,p. 64 - 65
[2]Synlett,2007,p. 619 - 622
[3]Journal of the Chemical Society,1954,p. 3669,3672
[4]Tetrahedron,1992,vol. 48,p. 2373 - 2384
[5]Agricultural and Biological Chemistry,1989,vol. 53,p. 215 - 222
  • 3
  • [ 106-48-9 ]
  • [ 96-24-2 ]
  • [ 104-29-0 ]
YieldReaction ConditionsOperation in experiment
95.1% With tetrabutylammomium bromide; sodium hydroxide; at 105℃; for 3h; Take 500ml three bottles, A mixture of 74.8 g (98.05%) of 3-chloro-1,2-propanediol (0.65 mol) P-chlorophenol 33.2 g (0.26 mol), Concentration of 10% NaOH solution 68.0g, Tetrabutylammonium bromide 1.28 g, The reaction system was heated to 105 C, Reaction for 1 h. 18.0 g (0.14 mol) of p-chlorophenol, 10% NaOH solution 96.8 g, 3-chloro-1,2-propanediol 9.2 g (content 98.05%) (0.08 mol) at this time, The molar ratio of p-chlorophenol to 3-chloro-1,2-propanediol was 1: 1.85, The molar ratio of p-chlorophenol to sodium hydroxide is 1: 1.85, The molar ratio of p-chlorophenol to tetrabutylammonium bromide was 1: 0.005, Continue to react 2h, Cooling to 20 , Add dilute hydrochloric acid to adjust the pH to 6.0. After standing for some time, Separate two phases, Take the lower organic phase, Gas chromatography monitoring, The conversion rate was 98.9% (see Figure 1) To the reaction solution was added 200 ml of water and 300 ml of trichloromethane, The volume ratio of chloroform to water is 3: 2, Into the ice water mixing, There are white solid precipitation, Stir, Suction filter. 40 vacuum drying, The product weighs 77.08g, the yield is 95.1%, the content is 99.64%.
Reference： [1]Patent: CN105016989,2017,B .Location in patent: Paragraph 0082; 0083
[2]Tetrahedron Asymmetry,1998,vol. 9,p. 271 - 283
[3]Patent: DE219325,
    Fortschr. Teerfarbenfabr. Verw. Industriezweige,vol. 9,p. 996
[4]Chimica Therapeutica,1969,vol. 4,p. 200 - 206
[5]Synthesis,1989,p. 64 - 65
[6]Tetrahedron,1992,vol. 48,p. 2373 - 2384
  • 4
  • [ 62067-19-0 ]
  • [ 104-29-0 ]
Reference： [1]Journal of Organic Chemistry,1977,vol. 42,p. 2260 - 2264
  • 5
  • [ 104-29-0 ]
  • [ 79-04-9 ]
  • [ 23958-75-0 ]
Reference： [1]Chimica Therapeutica,1969,vol. 4,p. 200 - 206
  • 6
  • [ 104-29-0 ]
  • [ 79-04-9 ]
  • [ 23958-86-3 ]
Reference： [1]Chimica Therapeutica,1969,vol. 4,p. 200 - 206
  • 7
  • [ 104-29-0 ]
  • [ 57-13-6 ]
  • [ 14716-97-3 ]
Reference： [1]Journal of the American Chemical Society,1960,vol. 82,p. 1166 - 1171
  • 8
  • [ 104-29-0 ]
  • [ 98-80-6 ]
  • [ 2170-24-3 ]
Reference： [1]Roczniki Chemii,1964,vol. 38,p. 897 - 898
  • 9
  • [ 108-05-4 ]
  • [ 104-29-0 ]
  • [ 147220-31-3 ]
  • [ 147220-31-3 ]
  • [ 147220-41-5 ]
  • [ 147220-41-5 ]
Reference： [1]Tetrahedron Letters,1993,vol. 34,p. 305 - 306
  • 10
  • [ 108-05-4 ]
  • [ 104-29-0 ]
  • [ 147220-31-3 ]
  • [ 147220-31-3 ]
  • [ 911835-63-7 ]
Reference： [1]Journal of Organic Chemistry,1994,vol. 59,p. 388 - 393
  • 11
  • [ 108-05-4 ]
  • [ 104-29-0 ]
  • [ 147220-41-5 ]
  • [ 147220-41-5 ]
  • [ 204584-11-2 ]
Reference： [1]Journal of Organic Chemistry,1994,vol. 59,p. 388 - 393
  • 12
  • [ 2212-05-7 ]
  • [ 104-29-0 ]
Reference： [1]Organic Preparations and Procedures International,2002,vol. 34,p. 537 - 540
[2]Agricultural and Biological Chemistry,1989,vol. 53,p. 215 - 222
  • 13
  • [ 886-74-8 ]
  • [ 104-29-0 ]
Reference： [1]Chemical and Pharmaceutical Bulletin,1986,vol. 34,p. 3481 - 3484
  • 14
  • [ 886-74-8 ]
  • [ 104-29-0 ]
  • [ 61514-96-3 ]
Reference： [1]Chemical and Pharmaceutical Bulletin,1986,vol. 34,p. 1764 - 1769
  • 15
  • [ 104-29-0 ]
  • [ 622-44-6 ]
  • [ 120235-64-5 ]
Reference： [1]Journal of the Chemical Society. Perkin transactions II,1988,p. 1653 - 1660
  • 16
  • [ 61514-96-3 ]
  • [ 886-74-8 ]
  • [ 104-29-0 ]
Reference： [1]Chemical and Pharmaceutical Bulletin,1986,vol. 34,p. 1764 - 1769
  • 17
  • [ 61514-96-3 ]
  • [ 104-29-0 ]
Reference： [1]Chemical and Pharmaceutical Bulletin,1986,vol. 34,p. 3481 - 3484
  • 18
  • [ 104-29-0 ]
  • [ 124-63-0 ]
  • [ 87481-87-6 ]
Reference： [1]Journal of the American Chemical Society,1983,vol. 105,p. 7288 - 7294
  • 19
  • [ 104-29-0 ]
  • [ 98-59-9 ]
  • [ 87481-86-5 ]
Reference： [1]Journal of the American Chemical Society,1983,vol. 105,p. 7288 - 7294
  • 20
  • [ 104-29-0 ]
  • [ 4385-48-2 ]
  • [ 39719-58-9 ]
Reference： [1]Farmaco, Edizione Scientifica,1972,vol. 27,p. 870 - 875
  • 21
  • [ 108-05-4 ]
  • [ 104-29-0 ]
  • [ 147220-41-5 ]
Reference： [1]Tetrahedron Asymmetry,1995,vol. 6,p. 1323 - 1344
  • 22
  • [ 104-29-0 ]
  • [ 108-24-7 ]
  • [ 204584-11-2 ]
Reference： [1]Chirality,2018,vol. 30,p. 85 - 94
[2]Tetrahedron Asymmetry,1998,vol. 9,p. 271 - 283
  • 25
  • (+-)-1-chloro-3-<4-chloro-phenoxy>-propan-2-ol [ No CAS ]
  • [ 104-29-0 ]
Reference： [1]Journal of the Chemical Society,1951,p. 1589,1594
  • 26
  • [ 556-52-5 ]
  • [ 1193-00-6 ]
  • [ 104-29-0 ]
Reference： [1]Synthetic Communications,2002,vol. 32,p. 2287 - 2293
[2]Synthetic Communications,2004,vol. 34,p. 2789 - 2795
  • 27
  • [ 13416-90-5 ]
  • [ 104-29-0 ]
  • [ 935477-90-0 ]
Reference： [1]Bioorganic and Medicinal Chemistry,2007,vol. 15,p. 1741 - 1748
  • 28
  • [ 4074-90-2 ]
  • [ 104-29-0 ]
  • 1-O-vinyladipoyl-chlorphenesin [ No CAS ]
Reference： [1]Bioorganic and Medicinal Chemistry,2007,vol. 15,p. 1741 - 1748
  • 29
  • [ 10355-49-4 ]
  • [ 104-29-0 ]
  • 1-O-vinylazeloyl-chlorphenesin [ No CAS ]
Reference： [1]Bioorganic and Medicinal Chemistry,2007,vol. 15,p. 1741 - 1748
  • 30
  • [ 10355-50-7 ]
  • [ 104-29-0 ]
  • 1-O-vinylsebacoyl-chlorphenesin [ No CAS ]
Reference： [1]Bioorganic and Medicinal Chemistry,2007,vol. 15,p. 1741 - 1748
  • 31
  • [ 104-29-0 ]
  • C19H25ClO11 [ No CAS ]
Reference： [1]Bioorganic and Medicinal Chemistry,2007,vol. 15,p. 1741 - 1748
  • 32
  • [ 104-29-0 ]
  • C19H25ClO11 [ No CAS ]
Reference： [1]Bioorganic and Medicinal Chemistry,2007,vol. 15,p. 1741 - 1748
  • 33
  • [ 104-29-0 ]
  • C21H29ClO11 [ No CAS ]
Reference： [1]Bioorganic and Medicinal Chemistry,2007,vol. 15,p. 1741 - 1748
  • 34
  • [ 104-29-0 ]
  • C21H29ClO11 [ No CAS ]
Reference： [1]Bioorganic and Medicinal Chemistry,2007,vol. 15,p. 1741 - 1748
  • 35
  • [ 104-29-0 ]
  • C19H25ClO11 [ No CAS ]
Reference： [1]Bioorganic and Medicinal Chemistry,2007,vol. 15,p. 1741 - 1748
  • 36
  • [ 104-29-0 ]
  • C19H25ClO11 [ No CAS ]
Reference： [1]Bioorganic and Medicinal Chemistry,2007,vol. 15,p. 1741 - 1748
  • 37
  • [ 104-29-0 ]
  • [ 204584-23-6 ]
Reference： [1]Tetrahedron Asymmetry,1998,vol. 9,p. 271 - 283
  • 38
  • [ 104-29-0 ]
  • [ 147220-31-3 ]
Reference： [1]Tetrahedron Asymmetry,1998,vol. 9,p. 271 - 283
  • 39
  • [ 104-29-0 ]
  • [ 147220-31-3 ]
Reference： [1]Tetrahedron Asymmetry,1998,vol. 9,p. 271 - 283
  • 40
  • [ 104-29-0 ]
  • [ 112652-61-6 ]
Reference： [1]Tetrahedron Asymmetry,1998,vol. 9,p. 271 - 283
[2]Journal of Organic Chemistry,1994,vol. 59,p. 388 - 393
[3]Journal of Organic Chemistry,1994,vol. 59,p. 388 - 393
  • 41
  • [ 104-29-0 ]
  • (S)-3-(4-chlorophenoxy)propane-1,2-diol [ No CAS ]
Reference： [1]Tetrahedron Asymmetry,1998,vol. 9,p. 271 - 283
[2]Journal of Organic Chemistry,1994,vol. 59,p. 388 - 393
[3]Journal of Organic Chemistry,1994,vol. 59,p. 388 - 393
  • 42
  • [ 104-29-0 ]
  • [ 122956-07-4 ]
Reference： [1]Agricultural and Biological Chemistry,1989,vol. 53,p. 215 - 222
  • 43
  • [ 104-29-0 ]
  • p-chlorophenoxyacetaldehyde cyanohydrin acatate [ No CAS ]
Reference： [1]Agricultural and Biological Chemistry,1989,vol. 53,p. 215 - 222
  • 44
  • [ 104-29-0 ]
  • Acetic acid (S)-2-(4-chloro-phenoxy)-1-cyano-ethyl ester [ No CAS ]
Reference： [1]Agricultural and Biological Chemistry,1989,vol. 53,p. 215 - 222
  • 45
  • [ 104-29-0 ]
  • Acetic acid (R)-2-(4-chloro-phenoxy)-1-cyano-ethyl ester [ No CAS ]
Reference： [1]Agricultural and Biological Chemistry,1989,vol. 53,p. 215 - 222
  • 46
  • [ 106-48-9 ]
  • [ 104-29-0 ]
Reference： [1]Agricultural and Biological Chemistry,1989,vol. 53,p. 215 - 222
  • 47
  • [ 104-29-0 ]
  • [ 87481-88-7 ]
Reference： [1]Journal of the American Chemical Society,1983,vol. 105,p. 7288 - 7294
  • 48
  • [ 104-29-0 ]
  • [ 87481-90-1 ]
Reference： [1]Journal of the American Chemical Society,1983,vol. 105,p. 7288 - 7294
  • 49
  • [ 104-29-0 ]
  • [ 87481-89-8 ]
Reference： [1]Journal of the American Chemical Society,1983,vol. 105,p. 7288 - 7294
  • 50
  • [ 104-29-0 ]
  • [ 141540-63-8 ]
Reference： [1]Tetrahedron,1992,vol. 48,p. 2373 - 2384
  • 51
  • [ 104-29-0 ]
  • [ 141540-72-9 ]
Reference： [1]Tetrahedron,1992,vol. 48,p. 2373 - 2384
  • 52
  • [ 104-29-0 ]
  • 2-(4-chloro-phenoxy)-1-hydroxy-ethanesulfonic acid ; sodium-salt [ No CAS ]
Reference： [1]Journal of the Chemical Society,1954,p. 3669,3672
  • 53
  • [ 1121-74-0 ]
  • [ 104-29-0 ]
Reference： [1]Journal of Organic Chemistry,1977,vol. 42,p. 2260 - 2264
  • 54
  • [ 104-29-0 ]
  • Diethylamino-acetic acid 2-(4-chloro-phenoxy)-1-(2-diethylamino-acetoxymethyl)-ethyl ester [ No CAS ]
Reference： [1]Chimica Therapeutica,1969,vol. 4,p. 200 - 206
  • 55
  • [ 104-29-0 ]
  • [ 98-59-9 ]
  • C16H17ClO5S [ No CAS ]
Reference： [1]Patent: US6335366,2002,B2 .Location in patent: Referential example 6
  • 56
  • 4-((4-chlorophenoxy)methyl)-2,2-dimethyl-1,3-dioxolane [ No CAS ]
  • [ 104-29-0 ]
Reference： [1]Patent: US6335366,2002,B2 .Location in patent: Referential example 6
  • 57
  • [ 556-52-5 ]
  • [ 106-48-9 ]
  • [ 104-29-0 ]
YieldReaction ConditionsOperation in experiment
With pyridine; PREPARATION 1 3-(4-Chlorophenoxy)-1,2-propanediol A mixture of 25.7 g (0.2 mole) of 4-chlorophenol, 18.5 g (0.25 mole) of glycidol and 1 ml of pyridine was stirred and heated at 85-90 C. overnight. The pot residue was partitioned between ethyl ether and water. The organic layer was washed with water and brine, dried over sodium sulfate, and concentrated to give a gum which crystallized when triturated with petroleum ether (boiling point range, 30-60 C.). The solid was collected by filtration and recrystallized from isopropyl ether to yield 27.2 g (67%) of off-white solid, mp 73-75 C. (lit1 mp 77 C.). 1 W. Bradley and J. Forrest, Brit 628,497 (1949); Chem Abstr 44, 3023eg (1950). Analysis: Calculated for C9 H11 ClO3: C, 53.35; H, 5.47. Found: C, 53.02; H, 5.56.
With pyridine; Preparation 1 3-(4-Chlorophenoxy)-1,2-propanediol. A mixture of 25.7 g (0.2 mole) of 4-chlorophenol, 18.5 g (0.25 mole) of glycidol and 1 ml of pyridine was stirred and heated at 85-90 C. overnight. The pot residue was partitioned between ethyl ether and water. The organic layer was washed with water and brine, dried over sodium sulfate, and concentrated to give a gum which crystallized when triturated with petroleum ether (boiling point range, 30-60 C.). The solid was collected by filtration and recrystallized from isopropyl ether to yield 27.2 g (67%) of off-white solid, mp 73-75 C. (lit1 mp 77 C.). 1 W. Bradley and J. Forest, Brit628,497 (1949); Chem Abstr 44, 3023 eg (1950). Analysis: Calculated for C9 H11 ClO3: C,53.35; H, 5.47; Found: C,53.02; H,5.56.
Reference： [1]Chirality,2018,vol. 30,p. 85 - 94
[2]Chemical Communications,2013,vol. 49,p. 5886 - 5888
[3]Patent: US5192785,1993,A
[4]Patent: US5194446,1993,A
  • 58
  • [ 2212-05-7 ]
  • [ 139-02-6 ]
  • [ 104-29-0 ]
  • [ 112718-82-8 ]
Reference： [1]Journal of Organic Chemistry,2011,vol. 76,p. 1883 - 1886
  • 59
  • [ 2212-05-7 ]
  • [ 104-29-0 ]
  • [ 129098-57-3 ]
  • [ 129098-58-4 ]
Reference： [1]Advanced Synthesis and Catalysis,2011,vol. 353,p. 1510 - 1518
  • 60
  • [ 108-05-4 ]
  • [ 104-29-0 ]
  • [ 204584-11-2 ]
Reference： [1]Monatshefte fur Chemie,2012,vol. 143,p. 951 - 953
  • 61
  • [ 106-48-9 ]
  • [ 56-81-5 ]
  • [ 104-29-0 ]
YieldReaction ConditionsOperation in experiment
95% With potassium carbonate; Diethyl carbonate; at 150℃; for 15h;Green chemistry; In a 50L stainless steel reactor, specifically XBZRJ-100 stainless steel reactor of Nanjing Xinbao Electromechanical Equipment Industry Co., Ltd, glycerol 5525g (60 mol), diethyl carbonate 3300g (28mol), p-chlorophenol 2580g (20 mol), potassium carbonate 276 g (2 mol) were sequentially added. The molar ratio of Glycerol: diethyl carbonate: p-chlorophenol was 3:1.4:1, the molar ratio of p-chlorophenol to potassium carbonate was 1:0:1. At the time of feeding, the mixture was kept at a low speed of 70 rpm, heated to 150 C, and reacted for 15 hours. After the reaction was completed, the temperature was lowered to 30 C, to the above reaction solution, a supernatant of 55.25 g of a saturated sodium chloride solution was added for washing, then, 55.25g of dichloromethane was added, and the mixture was uniformly mixed, layers were separated, the organic phase was taken and concentrated to give a yellow-white solid, recrystallized from dichloromethane, suction filtered as a pure white powdery product, the solid powder was vacuum dried at 65 C to obtain 3853 g of chlorphenesin, the calculated yield was 95%, and the purity by HPLC was 99.5%.
Reference： [1]Patent: CN108440253,2018,A .Location in patent: Paragraph 0028-0043
[2]Green Chemistry,2013,vol. 15,p. 625 - 628
  • 62
  • [ 201230-82-2 ]
  • [ 104-29-0 ]
  • [ 40492-32-8 ]
YieldReaction ConditionsOperation in experiment
83% With palladium 10% on activated carbon; oxygen; sodium acetate; potassium iodide; In 1,2-dimethoxyethane; at 100℃; under 10343.2 Torr; for 3h;Autoclave; Inert atmosphere; General procedure: In a 100 mL stainless steel autoclave, diol (5mmol), catalyst (10 % Pd/C, 0.5 mol %), KI (0.09 mmol), base (1.25 mmol),solvent (10 mL) were added. The autoclave was closed, flushed with nitrogen,pressurized with O2 (33 psi) and CO (167 psi) and reaction mixturewas stirred with a mechanical starrer (520 rpm) at desired temperature forappropriate time period. After completion of reaction, the reactor was thencooled to room temperature, degassed carefully and opened. The reaction mixturewas filtered and the solvent was evaporated under vacuum. The reaction mixturewas analyzed by GC analysis (Perkin-Elmer, Clarus 400) equipped with a flameionization detector (FID) and a capillary column (Elite-1, 30 m × 0.32 mm ×0.25 mum). Purification of residue was carried out by column chromatography(silica gel 100-200 mesh, petroleum ether/ethyl acetate) to afford thecorresponding products in good to excellent yield. The prepared compounds werecharacterized by 1H NMR (Varian 200 MHz NMR Spectrometer), 13CNMR spectra (50 MHz) and GC-MS (Shimadzu GC-MS QP 2010) (Rtx-17, 30 m × 25mmID,film thickness 0.25 mum df) (column flow- 2 mL/min, 80 C to 240 C at 10/min.rise.) which were consistent with those reported in the literature
Reference： [1]Tetrahedron Letters,2014,vol. 55,p. 1199 - 1202
  • 63
  • [ 104-29-0 ]
  • C18H11Cl3O8 [ No CAS ]
Reference： [1]Journal of Organic Chemistry,2015,vol. 80,p. 8084 - 8095
  • 64
  • [ 104-29-0 ]
  • 3-(4-chloro-2-hydroxyphenoxy)propane-1,2-diol [ No CAS ]
Reference： [1]Journal of Organic Chemistry,2015,vol. 80,p. 8084 - 8095
  • 65
  • [ 104-29-0 ]
  • 4-[(4-chloro-2-hydroxyphenoxy)methyl]-1,3-dioxolan-2-one [ No CAS ]
Reference： [1]Journal of Organic Chemistry,2015,vol. 80,p. 8084 - 8095
  • 66
  • [ 104-29-0 ]
  • [ 530-62-1 ]
  • [ 40492-32-8 ]
Reference： [1]Journal of Organic Chemistry,2015,vol. 80,p. 8084 - 8095
  • 67
  • [ 108-05-4 ]
  • [ 104-29-0 ]
  • [ 147220-31-3 ]
  • (S)-3-(4-chlorophenoxy)propane-1,2-diol [ No CAS ]
Reference： [1]Chirality,2018,vol. 30,p. 85 - 94
  • 68
  • [ 108-05-4 ]
  • [ 104-29-0 ]
  • [ 147220-31-3 ]
  • [ 147220-31-3 ]
  • [ 112652-61-6 ]
  • (S)-3-(4-chlorophenoxy)propane-1,2-diol [ No CAS ]
Reference： [1]Chirality,2018,vol. 30,p. 85 - 94
  • 69
  • [ 108-22-5 ]
  • [ 104-29-0 ]
  • [ 147220-31-3 ]
  • (S)-3-(4-chlorophenoxy)propane-1,2-diol [ No CAS ]
Reference： [1]Chirality,2018,vol. 30,p. 85 - 94
  • 70
  • [ 140-11-4 ]
  • [ 104-29-0 ]
  • [ 147220-31-3 ]
  • [ 147220-31-3 ]
  • [ 112652-61-6 ]
  • (S)-3-(4-chlorophenoxy)propane-1,2-diol [ No CAS ]
Reference： [1]Chirality,2018,vol. 30,p. 85 - 94
  • 71
  • [ 104-29-0 ]
  • [ 141-78-6 ]
  • [ 147220-31-3 ]
  • [ 147220-31-3 ]
  • [ 112652-61-6 ]
  • (S)-3-(4-chlorophenoxy)propane-1,2-diol [ No CAS ]
Reference： [1]Chirality,2018,vol. 30,p. 85 - 94
  • 72
  • [ 104-29-0 ]
  • 3-((1-((tert-butyldimethylsilyl)oxy)-3-(4-chlorophenoxy)propan-2-yl)oxy)propanal [ No CAS ]
Reference： [1]Journal of the American Chemical Society,2020
  • 73
  • [ 104-29-0 ]
  • 5-((1-((tert-butyldimethylsilyl)oxy)-3-(4-chlorophenoxy)propan-2-yl)oxy)pent-1-en-3-ol [ No CAS ]
Reference： [1]Journal of the American Chemical Society,2020
  • 74
  • [ 104-29-0 ]
  • C28H48BClO4Si [ No CAS ]
Reference： [1]Journal of the American Chemical Society,2020
  • 75
  • [ 104-29-0 ]
  • 5-((1-((tert-butyldimethylsilyl)oxy)-3-(4-chlorophenoxy)propan-2-yl)oxy)pentane-1,3-diol [ No CAS ]
Reference： [1]Journal of the American Chemical Society,2020
  • 76
  • [ 104-29-0 ]
  • 5-((1-((tert-butyldimethylsilyl)oxy)-3-(4-chlorophenoxy)propan-2-yl)oxy)pentane-1,3-diyl dimethanesulfonate [ No CAS ]
Reference： [1]Journal of the American Chemical Society,2020
  • 77
  • [ 104-29-0 ]
  • tert-butyl(3-(4-chlorophenoxy)-2-(2-cyclopropylethoxy)propoxy)dimethylsilane [ No CAS ]
Reference： [1]Journal of the American Chemical Society,2020
  • 78
  • [ 104-29-0 ]
  • (2-(allyloxy)-3-(4-chlorophenoxy)propoxy)(tert-butyl)dimethylsilane [ No CAS ]
Reference： [1]Journal of the American Chemical Society,2020
  • 79
  • [ 104-29-0 ]
  • C26H44BClO3Si [ No CAS ]
Reference： [1]Journal of the American Chemical Society,2020
  • 80
  • [ 104-29-0 ]
  • 3-((1-((tert-butyldimethylsilyl)oxy)-3-(4-chlorophenoxy)propan-2-yl)oxy)propan-1-ol [ No CAS ]
Reference： [1]Journal of the American Chemical Society,2020
  • 81
  • [ 104-29-0 ]
  • [ 18162-48-6 ]
  • 1-((tert-butyldimethylsilyl)oxy)-3-(4-chlorophenoxy)propan-2-ol [ No CAS ]
Reference： [1]Journal of the American Chemical Society,2020
  • 82
  • [ 104-29-0 ]
  • [ 18162-48-6 ]
  • [ 2304999-02-6 ]
YieldReaction ConditionsOperation in experiment
93% With 1H-imidazole In N,N-dimethyl-formamide at 20℃; for 16h; Inert atmosphere; General procedure for silylation General procedure: To 1 equivalent alcohol and 2 equivalent imidazole dissolved in DMF, was added 1.5-2 equivalents of TBDMSCl under nitrogen. The reaction was stirred overnight (16 h) at room temperature and quenched by adding water. Volatiles were removed by an oil-free rotary evaporator at 60° C for 20 minutes. The corresponding TBDMS ether was extracted with ethyl acetate. The organic phase was combined, washed with 4x20 ml water and dried with Na2SO4.The corresponding mono- and di-TBDMS ether was obtained in nearly quantitative yield after removing the solvent by rotary-evaporation at 60° C for 1 h.
Reference： [1]Sapkota, Krishna; Huang, Faqing [Synlett, 2019, vol. 30, # 16, p. 1895 - 1898]
  • 83
  • [ 637-87-6 ]
  • [ 56-81-5 ]
  • [ 104-29-0 ]
YieldReaction ConditionsOperation in experiment
70% With copper(l) iodide; potassium carbonate at 80℃; for 6h;
Reference： [1]Quivelli, Andrea Francesca; Marinò, Manuela; Vitale, Paola; García-Álvarez, Joaquín; Perna, Filippo M.; Capriati, Vito [ChemSusChem, 2022, vol. 15, # 1]
  • 84
  • [ 104-29-0 ]
  • [ 219658-26-1 ]
YieldReaction ConditionsOperation in experiment
86% With 1H-imidazole; iodine; triphenylphosphine In dichloromethane at 0 - 20℃;
Reference： [1]Cai, Aijie; Liu, Wei; Wang, Chao; Yan, Wenhao [Angewandte Chemie - International Edition, 2021, vol. 60, # 52, p. 27070 - 27077][Angew. Chem., 2021, vol. 133, # 52, p. 27276 - 27283]
  • 85
  • [ 104-29-0 ]
  • [ 2750168-57-9 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: triphenylphosphine; 1H-imidazole; iodine / dichloromethane / 0 - 20 °C 2: copper(II) bis(trifluoromethanesulfonate); 2,2':6,2''-terpyridine; (2,4,6-trimethylphenyl)diazonium tetrafluoronorate / dimethyl sulfoxide / 0.75 h / 20 °C / Inert atmosphere; Sealed tube; Schlenk technique
Reference： [1]Cai, Aijie; Liu, Wei; Wang, Chao; Yan, Wenhao [Angewandte Chemie - International Edition, 2021, vol. 60, # 52, p. 27070 - 27077][Angew. Chem., 2021, vol. 133, # 52, p. 27276 - 27283]
  • 86
  • [ 827-54-3 ]
  • [ 104-29-0 ]
  • [ CAS Unavailable ]
  • [ CAS Unavailable ]
YieldReaction ConditionsOperation in experiment
66.667 % de With triethylamine In N,N-dimethyl-formamide at 20℃; Inert atmosphere; UV-irradiation; Overall yield = 53 percent;
Reference： [1]Fan, Yingjie; Zheng, Haifeng; Labalme, Steven; Lin, Wenbin [Journal of the American Chemical Society, 2022]

Tags: 104-29-0 synthesis path| 104-29-0 SDS| 104-29-0 COA| 104-29-0 purity| 104-29-0 application| 104-29-0 NMR| 104-29-0 COA| 104-29-0 structure

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