Home Cart Sign in  
Chemical Structure| 104-38-1 Chemical Structure| 104-38-1

Structure of 104-38-1

Chemical Structure| 104-38-1

*Storage: {[sel_prStorage]}

*Shipping: {[sel_prShipping]}

,{[proInfo.pro_purity]}

4.5 *For Research Use Only !

{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]} Purity: {[proInfo.pro_purity]}

Change View

Size Price VIP Price

US Stock

Global Stock

In Stock
{[ item.pr_size ]} Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate,item.pr_is_large_size_no_price, item.vip_usd) ]}

US Stock: ship in 0-1 business day
Global Stock: ship in 5-7 days

  • {[ item.pr_size ]}

In Stock

- +

Please Login or Create an Account to: See VIP prices and availability

US Stock: ship in 0-1 business day
Global Stock: ship in 2 weeks

  • 1-2 Day Shipping
  • High Quality
  • Technical Support
Product Citations

Alternative Products

Product Details of [ 104-38-1 ]

CAS No. :104-38-1
Formula : C10H14O4
M.W : 198.22
SMILES Code : OCCOC1=CC=C(OCCO)C=C1
MDL No. :MFCD00002861
InChI Key :WTPYFJNYAMXZJG-UHFFFAOYSA-N
Pubchem ID :66912

Safety of [ 104-38-1 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319-H412
Precautionary Statements:P273-P305+P351+P338

Computational Chemistry of [ 104-38-1 ] Show Less

Physicochemical Properties

Num. heavy atoms 14
Num. arom. heavy atoms 6
Fraction Csp3 0.4
Num. rotatable bonds 6
Num. H-bond acceptors 4.0
Num. H-bond donors 2.0
Molar Refractivity 51.36
TPSA ?

Topological Polar Surface Area: Calculated from
Ertl P. et al. 2000 J. Med. Chem.

58.92 Ų

Lipophilicity

Log Po/w (iLOGP)?

iLOGP: in-house physics-based method implemented from
Daina A et al. 2014 J. Chem. Inf. Model.

2.01
Log Po/w (XLOGP3)?

XLOGP3: Atomistic and knowledge-based method calculated by
XLOGP program, version 3.2.2, courtesy of CCBG, Shanghai Institute of Organic Chemistry

0.45
Log Po/w (WLOGP)?

WLOGP: Atomistic method implemented from
Wildman SA and Crippen GM. 1999 J. Chem. Inf. Model.

0.43
Log Po/w (MLOGP)?

MLOGP: Topological method implemented from
Moriguchi I. et al. 1992 Chem. Pharm. Bull.
Moriguchi I. et al. 1994 Chem. Pharm. Bull.
Lipinski PA. et al. 2001 Adv. Drug. Deliv. Rev.

0.37
Log Po/w (SILICOS-IT)?

SILICOS-IT: Hybrid fragmental/topological method calculated by
FILTER-IT program, version 1.0.2, courtesy of SILICOS-IT, http://www.silicos-it.com

1.31
Consensus Log Po/w?

Consensus Log Po/w: Average of all five predictions

0.91

Water Solubility

Log S (ESOL):?

ESOL: Topological method implemented from
Delaney JS. 2004 J. Chem. Inf. Model.

-1.27
Solubility 10.6 mg/ml ; 0.0533 mol/l
Class?

Solubility class: Log S scale
Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly

Very soluble
Log S (Ali)?

Ali: Topological method implemented from
Ali J. et al. 2012 J. Chem. Inf. Model.

-1.26
Solubility 11.0 mg/ml ; 0.0555 mol/l
Class?

Solubility class: Log S scale
Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly

Very soluble
Log S (SILICOS-IT)?

SILICOS-IT: Fragmental method calculated by
FILTER-IT program, version 1.0.2, courtesy of SILICOS-IT, http://www.silicos-it.com

-2.35
Solubility 0.881 mg/ml ; 0.00445 mol/l
Class?

Solubility class: Log S scale
Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly

Soluble

Pharmacokinetics

GI absorption?

Gatrointestinal absorption: according to the white of the BOILED-Egg

High
BBB permeant?

BBB permeation: according to the yolk of the BOILED-Egg

No
P-gp substrate?

P-glycoprotein substrate: SVM model built on 1033 molecules (training set)
and tested on 415 molecules (test set)
10-fold CV: ACC=0.72 / AUC=0.77
External: ACC=0.88 / AUC=0.94

No
CYP1A2 inhibitor?

Cytochrome P450 1A2 inhibitor: SVM model built on 9145 molecules (training set)
and tested on 3000 molecules (test set)
10-fold CV: ACC=0.83 / AUC=0.90
External: ACC=0.84 / AUC=0.91

No
CYP2C19 inhibitor?

Cytochrome P450 2C19 inhibitor: SVM model built on 9272 molecules (training set)
and tested on 3000 molecules (test set)
10-fold CV: ACC=0.80 / AUC=0.86
External: ACC=0.80 / AUC=0.87

No
CYP2C9 inhibitor?

Cytochrome P450 2C9 inhibitor: SVM model built on 5940 molecules (training set)
and tested on 2075 molecules (test set)
10-fold CV: ACC=0.78 / AUC=0.85
External: ACC=0.71 / AUC=0.81

No
CYP2D6 inhibitor?

Cytochrome P450 2D6 inhibitor: SVM model built on 3664 molecules (training set)
and tested on 1068 molecules (test set)
10-fold CV: ACC=0.79 / AUC=0.85
External: ACC=0.81 / AUC=0.87

No
CYP3A4 inhibitor?

Cytochrome P450 3A4 inhibitor: SVM model built on 7518 molecules (training set)
and tested on 2579 molecules (test set)
10-fold CV: ACC=0.77 / AUC=0.85
External: ACC=0.78 / AUC=0.86

No
Log Kp (skin permeation)?

Skin permeation: QSPR model implemented from
Potts RO and Guy RH. 1992 Pharm. Res.

-7.19 cm/s

Druglikeness

Lipinski?

Lipinski (Pfizer) filter: implemented from
Lipinski CA. et al. 2001 Adv. Drug Deliv. Rev.
MW ≤ 500
MLOGP ≤ 4.15
N or O ≤ 10
NH or OH ≤ 5

0.0
Ghose?

Ghose filter: implemented from
Ghose AK. et al. 1999 J. Comb. Chem.
160 ≤ MW ≤ 480
-0.4 ≤ WLOGP ≤ 5.6
40 ≤ MR ≤ 130
20 ≤ atoms ≤ 70

None
Veber?

Veber (GSK) filter: implemented from
Veber DF. et al. 2002 J. Med. Chem.
Rotatable bonds ≤ 10
TPSA ≤ 140

0.0
Egan?

Egan (Pharmacia) filter: implemented from
Egan WJ. et al. 2000 J. Med. Chem.
WLOGP ≤ 5.88
TPSA ≤ 131.6

0.0
Muegge?

Muegge (Bayer) filter: implemented from
Muegge I. et al. 2001 J. Med. Chem.
200 ≤ MW ≤ 600
-2 ≤ XLOGP ≤ 5
TPSA ≤ 150
Num. rings ≤ 7
Num. carbon > 4
Num. heteroatoms > 1
Num. rotatable bonds ≤ 15
H-bond acc. ≤ 10
H-bond don. ≤ 5

1.0
Bioavailability Score?

Abbott Bioavailability Score: Probability of F > 10% in rat
implemented from
Martin YC. 2005 J. Med. Chem.

0.55

Medicinal Chemistry

PAINS?

Pan Assay Interference Structures: implemented from
Baell JB. & Holloway GA. 2010 J. Med. Chem.

0.0 alert
Brenk?

Structural Alert: implemented from
Brenk R. et al. 2008 ChemMedChem

0.0 alert: heavy_metal
Leadlikeness?

Leadlikeness: implemented from
Teague SJ. 1999 Angew. Chem. Int. Ed.
250 ≤ MW ≤ 350
XLOGP ≤ 3.5
Num. rotatable bonds ≤ 7

No; 1 violation:MW<1.0
Synthetic accessibility?

Synthetic accessibility score: from 1 (very easy) to 10 (very difficult)
based on 1024 fragmental contributions (FP2) modulated by size and complexity penaties,
trained on 12'782'590 molecules and tested on 40 external molecules (r2 = 0.94)

1.55

Application In Synthesis of [ 104-38-1 ]

* 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 [ 104-38-1 ]

[ 104-38-1 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 104-38-1 ]
  • [ 5471-84-1 ]
YieldReaction ConditionsOperation in experiment
85% With carbon tetrabromide; triphenylphosphine; In acetonitrile; at 0 - 20℃; for 4h;Inert atmosphere; While stirring at 0 C, carbontetrabromide (39.8 g, 120mmol) was slowly added to the dissolved1,4-bis(2-hydroxyethoxy)benzene (10.0 g, 50.4mmol)and triphenylphosphine (31.5 g, 120mmol) in 300mL driedacetonitrile. The clear solution obtained after the reactionmixture was heated to room temperature under the protection ofinert nitrogen was stirred for another 4 h. Then 200mL of coldwater was added to the reaction mixture to obtain a white solid.The white solid was collected by vacuum filtration, washedthoroughly with a 60:40 mixed solvent of V methanol: V water,and recrystallized from methanol to obtain white flake crystals.After vacuum drying, product 1 (13.8 g, 85%) was obtained.
83.4% With carbon tetrabromide; triphenylphosphine; In acetonitrile; at 0 - 20℃; for 4h; The first step is the preparation of the compound (I), i.e., 1,4-bis (2-bromoethoxy) benzene:First of all,Hydroquinone dihydroxyethyl ether (10.0 g, 50 mmol),Triphenylphosphine (31.5 g, 120.0 mmol)And solvent acetonitrile (200 g, 250 mL)Was added to a 500 mL three-necked flask,The reaction system was then placed in an ice bath until the temperature of the reaction system was 0 C,Stir well at 0 C,And then dropping carbon tetrabromide (39.8 g, 120.0 mmol)After completion of the dropwise addition, the reaction system was taken out from the ice bath and naturally slowly raised to room temperature,The reaction system gradually clarifies,Continue to stir 4h,After the reaction system was turned into a suspension,After adding cold water (200 g, 200 mL) to the reaction system,White precipitate appeared in the reaction system,After filtration, the precipitate was obtained,The filtered precipitate was washed three times with 100 mL of a solution (methanol in the solution: water (V / V) = 3: 2)To give the compound (I), i.e., 1,4-bis (2-bromoethoxy) benzene,Finally, the crude product of compound (I) was recrystallized by the methanol recrystallization method,To obtain 13.6 g of the higher purity compound (I)For small white crystals.The yield of the compound (I) was 83.4%
82.7% With carbon tetrabromide; triphenylphosphine; In acetonitrile; at 0 - 20℃; for 12h;Inert atmosphere; Cooling with ice; A solution of 4-bis(2-hydroxyethoxy) benzene (6.0 g 30 mmol) and triphenylphosphine (18.9 g,72.1 mmol) in dry acetonitrile (200 mL) was cooled with an ice bath. Under vigorous stirring, carbon tetrabromide (24.0 g, 72.4 mmol) was slowly added. The mixture was stirred at room temperature for 12 hours. Then cold water (200 mL) was added to the reaction mixture to give white precipitation. The precipitate was collected, washed with methanol/water (3:2, 3 × 100 mL), recrystallized from methanol, and dried under vacuum to afford 1 as white crystals, 82.7% (14.5 g, 24.8mmol).
82.7% With carbon tetrabromide; triphenylphosphine; In acetonitrile; at 20℃; for 12h;Cooling with ice; A solution of 4-bis(2-hydroxyethoxy) benzene (6.0 g,30 mmol) and triphenylphosphine (18.9 g, 72.1 mmol) indry acetonitrile (200 mL) was cooled with an ice bath.Under vigorous stirring, carbon tetrabromide (24.0 g,72.4 mmol) was slowly added. The mixture was stirred atroom temperature for 12 h. Then cold water (200 mL) wasadded to the reaction mixture to give white precipitation. The precipitate was collected, washed with methanol/water(3:2, 3 9 100 mL), recrystallized from methanol, anddried under vacuum to afford 1 as white crystals, 82.7%(14.5 g). 1H NMR (600 MHz, CDCl3): d = 6.86 (s, 4H),4.24 (t, J = 6.3, 4H), 3.61 (t, J = 6.3, 4H) ppm.
80% 1,4-Bis(hydroxyethoxy)benzene (5.00 g, 25.2 mmol) andtriphenylphosphine (15.00 g, 60 mmol) were stirred inCH3CN and cooled to 0 C. Carbon tetrabromide (20.00 g,60 mmol) was slowly added in small portions to a solutionwith stirring while maintaining 0 C. The reaction mixturewas then left to warm to room temperature and theresulting clear solution was stirred for a further 4 h undera nitrogen atmosphere. Cold distilled water (100 ml) wasadded to precipitate a white solid that was collected byvacuum filtration and recrystallised from hot methanol(200 mL). 1,4-Bis(bromoethoxy)benzene was isolated aswhite flake-like crystals following vacuum filtration. Yield:6.54 g (80%); m.p.: 112.7-115.6 C; 1H NMR (400 MHz,CDCl3) δ (ppm): 6.85 (s, 4H, ArH), 4.23 (t, 4H, -CH2O), 3.59(t, 4H, -CH2Br); 13C NMR (90 MHz, CDCl3) δ (ppm): 152.89,116.17, 68.81, 29.19. HRMS (m/z): calcd for C10H12Br2O2·NaC2HO2, 391.9063; found, 391.9195. Note: the molecular ioncould not be detected for this compound and was alwaysobserved as the sodium orthoformate complex.
79.2% With carbon tetrabromide; triphenylphosphine; In acetonitrile; at 0 - 20℃; for 24h; Add hydroquinone dihydroxy ether and triphenylphosphine to acetonitrile (or acetone) in a molar ratio of 1:3, At 0C, add carbon tetrabromide in batches (the molar ratio of hydroquinone dihydroxy ether to carbon tetrabromide is 1:3), and continue stirring for 24h at room temperature It is quenched by adding deionized water, filtered, washed, and separated by column chromatography to obtain 1,4-bis(2-bromoethoxy)benzene as a white powder. It is also possible to add deionized water to quench the reaction, filter with suction and wash with a mixed solution of methanol and water to obtain 1,4-bis(2-bromoethoxy)benzene.
With carbon tetrabromide; triphenylphosphine; In acetonitrile; at 0 - 25℃; for 4h;Inert atmosphere; In a round bottom flask (500 mL), 1,4-di(2-hydroxyethoxy)benzene (5 g, 25 mmol) and triphenylphosphine (15.7 g, 60 mmol) were weighed and dissolved in anhydrous acetonitrile (120 mL), then, while maintaining the temperature at 0 C, carbon tetrabromide (19.9 g, 60 mmol) was slowly added to the above system. Then, the temperature was raised to room temperature at 25 C, and stirred under nitrogen for 4 hours. After completion of the reaction, ice-water (200mL) was added to the system, the product was precipitated, the solid was obtained by filtration and washed 3-4 times with methanol/water (3:2, 3×100 mL), and the crude product was recrystallized from methanol for further purification to give a pure product
With carbon tetrabromide; triphenylphosphine; In acetonitrile; at 0 - 25℃; for 4h;Inert atmosphere; In a round bottom flask (500 mL), 1,4-bis(2-hydroxyethoxy)benzene (5 g, 25 mmol) and triphenylphosphine (15.7 g, 60 mmol) were weighed and dissolved in anhydrous acetonitrile (120 mL) Then, while maintaining the temperature at 0 C, carbon tetrabromide (19.9 g, 60 mmol) was slowly added to the above system. Then, the temperature was raised to room temperature at 25 C, and stirred under nitrogen for 4 hours. After completion of the reaction, ice water (200 mL) was added to the system to precipitate a product. The solid was obtained by filtration and washed 3-4 times with methanol/water (3:2, 3×100 mL). The crude product was recrystallized from methanol for further purification to give a pure product.
14.5 g With carbon tetrabromide; triphenylphosphine; In acetonitrile; at 20℃; for 4h;Cooling with ice; (1) 10 g of hydroquinone di(2-hydroxyethyl)ether, 31.5 g of triphenylphosphine, and 250 mL of anhydrous acetonitrile were sequentially placed in a round bottom flask.After cooling with an ice water bath, and stirring and stirring, 39.8 g of carbon tetrabromide was added, and the reaction was stirred at room temperature for 4 hours.After the reaction was completed, 200 mL of cold water was added to the mixture to quench the reaction to obtain a white precipitate, which was collected by filtration.It was washed 3 times with an aqueous methanol solution (volume ratio of 3:2), recrystallized from methanol, and dried, white crystals, 14.5 g,
With carbon tetrabromide; triphenylphosphine; In acetonitrile; at 20℃; for 4h; General procedure: Synthesis of tetramer and the following substances according to previously reported procedures.1-3 The raw material 1 (10 g, 50.4 mmol) was added to MeCN (250 ml) under ice bath and then stirred for a few minutes to dissolve the raw material. Triphenylphosphine (31.5 g, 120 mmol) continues to be added to the mixture and stirred for a few minutes. Then, slowly add dropwise carbon tetrabromide (39.8 g, 120 mmol) to the reaction solution, and after stirring for a while, the ice bath is removed and stirred at room temperature for 4 h. The addition of 200 ml water resulted in a precipitate. The precipitate washed by MeOH/H2O (100 ml2, V: V=3:2). Finally wash with methanol (70 ml2) to obtain product 2 as a white solid. The tetramer (3.24 g, 4.15 mmol) was dissolved in trifluoroacetate (35 ml), followed by adding the product 2 (4.59 g, 14.17 mmol). The mixture was stirred for 3 h at 70 after removal of the trifluoroacetate by distillation under reduced pressure. The obtained solid was washed with methanol (300 ml) and acetone (400 ml). The product 3 was obtained as a white solid by vacuum drying (3.52 g, 82%). 1H NMR (600 MHz, DMSO): 6.91 (s, 4H), 5.59 (d, J = 14.4, 2H), 5.51 (d, J = 15.2, 4H), 5.38 (d, J = 9.0, 2H),5.30-5.25 (m, 6H), 4.50-4.40 (m, 4H), 4.25-4.20 (m, 10H), 4.06 (d, J = 15.2, 4H), 3.90-3.80(m, 8H), 1.69 (s, 6H), 1.66 (s, 6H). The product 3 (3.5 g, 2.51 mmol) was dissolved in DMSO (35 ml), followed by adding sodium azide (1.96 g, 30.15 mmol). The mixture was stirred for 12 h at 80. Then pour the reaction solution into water to obtain a precipitate. The precipitate was washed with methanol (350 ml) to obtain product 4 as a white solid (3.10 g, 97%). 1H NMR (600 MHz, DMSO): 6.88 (s, 4H), 5.57 (d,J = 14.6, 2H), 5.47 (d, J = 15.1, 4H), 5.37 (d, J = 8.7, 2H), 5.25 (d, J = 8.7, 2H), 5.24 (d, J =16.1, 4H), 4.25 - 4.20 (m, 4H), 4.14 (d, J = 16.1, 4H), 4.15 - 4.05 (m, 4H), 4.05 (d, J = 14.6,4H), 4.03 (d, J = 15.1, 2H), 3.85-3.75 (m, 4H), 3.55-3.45 (m, 4H), 1.69 (s, 6H), 1.66 (s, 6H). The product 4 (2.5 g, 2.01 mmol) was dissolved in mixed solvent of DMSO and H2O (80 ml and 8 ml), followed by adding triphenylphosphine (4.18 g, 15.94 mmol). The mixture was stirred for 6 h at 80. The reaction solution was adjusted to pH 1 with HCl (6 mol), and then the reaction solution was poured into acetone (400 ml) to obtain a white precipitate. The white precipitate was washed with acetone (300 ml). The white precipitate was dissolved with a minimum amount of water and then acetone (120 ml) was added to obtain a white precipitate which was repeated twice to give a host-2 as a white solid (1.23g, 43%). 1H NMR (600 MHz, D2O): 6.44 (s, 4H),5.58 (d, J = 15.3, 2H), 5.52 (d, J = 15.8, 4H), 5.46 (d, J = 9.2, 2H), 5.28 (d, J = 9.2, 2H), 5.27(d, J = 16.5, 4H), 4.31 (d, J = 15.8, 4H), 4.29 (d, J = 16.5, 4H), 4.13 (d, J = 15.3, 2H), 3.85 -3.75 (m, 4H), 3.65-3.55 (m, 4H), 3.350-3.10 (m, 8H), 1.78 (s, 6H), 1.77 (s, 6H).
With carbon tetrabromide; triphenylphosphine; In acetonitrile; at 20℃; for 4h; Add hydroquinone bis(2-hydroxyethyl) ether (1.98 g, 0.01 mol), after the hydroquinone bis(2-hydroxyethyl) ether is completely dissolved, add carbon tetrabromide (13.24 g, 0.04 mol), triphenylphosphine (5.24 g, 0.02 mol), the reaction solution was reacted at room temperature for 4 h. After the reaction is over, add pure water (200 mL) to the reaction solution In the process, a white precipitate is produced, and the precipitate is vacuum filtered to obtain a crude product; the crude product is washed 3 times with methanol/water (volume ratio 3:2), each After 100 mL, the pure product is obtained. Dry in a vacuum drying oven to obtain a white solid, and finally prepare bromobenzene ring side arms

References: [1]Chemical Communications,2012,vol. 48,p. 6505 - 6507.
[2]RSC Advances,2019,vol. 9,p. 13814 - 13819.
[3]Journal of Organic Chemistry,2019,vol. 84,p. 9684 - 9692.
[4]New Journal of Chemistry,2021,vol. 45,p. 6486 - 6494.
[5]Journal of Medicinal Chemistry,2021,vol. 64,p. 14728 - 14744.
[6]Chemical Communications,2021,vol. 57,p. 492 - 495.
[7]Journal of Materials Chemistry B,2020,vol. 8,p. 703 - 714.
[8]Chemistry - A European Journal,2014,vol. 20,p. 8404 - 8409.
[9]Organic and Biomolecular Chemistry,2014,vol. 12,p. 2413 - 2422.
[10]Angewandte Chemie - International Edition,2021,vol. 60,p. 24443 - 24449.
    Angew. Chem.,2021,vol. 133,p. 24648 - 24654.
[11]Chemical Communications,2011,vol. 47,p. 12340 - 12342.
[12]Bulletin of the Chemical Society of Japan,2022,vol. 95,p. 116 - 120.
[13]Tetrahedron Letters,2017,vol. 58,p. 4403 - 4406.
[14]Patent: CN106496045,2017,A .Location in patent: Paragraph 0015; 0017; 0018.
[15]Tetrahedron Letters,2016,vol. 57,p. 3385 - 3388.
[16]Journal of Inclusion Phenomena and Macrocyclic Chemistry,2017,vol. 87,p. 29 - 36.
[17]Supramolecular Chemistry,2016,vol. 28,p. 436 - 443.
[18]Chemical Communications,2017,vol. 53,p. 9078 - 9080.
[19]Patent: CN112079684,2020,A .Location in patent: Paragraph 0077-0080.
[20]Organic Letters,2021,vol. 23,p. 3885 - 3890.
[21]Chemical Communications,2019,vol. 55,p. 4307 - 4310.
[22]Chemical Communications,2019,vol. 55,p. 778 - 781.
[23]Chemistry - A European Journal,1997,vol. 3,p. 788 - 798.
[24]Arzneimittel-Forschung/Drug Research,1975,vol. 25,p. 1853 - 1858.
[25]Monatshefte fur Chemie,2008,vol. 139,p. 639 - 645.
[26]Journal of the American Chemical Society,2018,vol. 140,p. 9669 - 9677.
[27]Chemistry - A European Journal,2018,vol. 24,p. 15750 - 15755.
[28]Patent: CN108558682,2018,A .Location in patent: Paragraph 0042; 0061; 0062.
[29]Patent: CN108794343,2018,A .Location in patent: Paragraph 0073; 0074.
[30]RSC Advances,2019,vol. 9,p. 345 - 353.
[31]Chemistry - A European Journal,2019,vol. 25,p. 949 - 953.
[32]Patent: CN109336773,2019,A .Location in patent: Paragraph 0012.
[33]Angewandte Chemie - International Edition,2019,vol. 58,p. 5302 - 5306.
    Angew. Chem.,2019,vol. 58,p. 5356 - 5360,5.
[34]Bioorganic and Medicinal Chemistry,2019,vol. 27,p. 525 - 532.
[35]ACS Infectious Diseases,2019,vol. 5,p. 1535 - 1545.
[36]Chemical Communications,2020,vol. 56,p. 7593 - 7596.
[37]Chemical Communications,2020,vol. 56,p. 10135 - 10138.
[38]Patent: CN108003198,2021,B .Location in patent: Paragraph 0033-0035.
 

Historical Records

Technical Information

Categories

Related Functional Groups of
[ 104-38-1 ]

Aryls

Chemical Structure| 104-66-5

A350905 [104-66-5]

1,2-Diphenoxyethane

Similarity: 1.00

Chemical Structure| 2050-46-6

A105762 [2050-46-6]

1,2-Diethoxybenzene

Similarity: 0.96

Chemical Structure| 1126-20-1

A116664 [1126-20-1]

2-(Allyloxy)phenol

Similarity: 0.96

Chemical Structure| 94-71-3

A145163 [94-71-3]

2-Ethoxyphenol

Similarity: 0.96

Chemical Structure| 3250-73-5

A160956 [3250-73-5]

2-(2-Ethoxyphenoxy)ethanol

Similarity: 0.96

Ethers

Chemical Structure| 104-66-5

A350905 [104-66-5]

1,2-Diphenoxyethane

Similarity: 1.00

Chemical Structure| 2050-46-6

A105762 [2050-46-6]

1,2-Diethoxybenzene

Similarity: 0.96

Chemical Structure| 1126-20-1

A116664 [1126-20-1]

2-(Allyloxy)phenol

Similarity: 0.96

Chemical Structure| 94-71-3

A145163 [94-71-3]

2-Ethoxyphenol

Similarity: 0.96

Chemical Structure| 3250-73-5

A160956 [3250-73-5]

2-(2-Ethoxyphenoxy)ethanol

Similarity: 0.96

Alcohols

Chemical Structure| 3250-73-5

A160956 [3250-73-5]

2-(2-Ethoxyphenoxy)ethanol

Similarity: 0.96

Chemical Structure| 6180-61-6

A108859 [6180-61-6]

3-Phenoxy-1-propanol

Similarity: 0.86

Chemical Structure| 10288-36-5

A104058 [10288-36-5]

2,3-Dihydrobenzo[b][1,4]dioxin-5-ol

Similarity: 0.81

Chemical Structure| 15149-10-7

A488329 [15149-10-7]

2-(p-Tolyloxy)ethanol

Similarity: 0.81

Chemical Structure| 1883-75-6

A136022 [1883-75-6]

Furan-2,5-diyldimethanol

Similarity: 0.79