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Chemical Structure| 16874-34-3 Chemical Structure| 16874-34-3

Structure of 16874-34-3

Chemical Structure| 16874-34-3

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Product Details of [ 16874-34-3 ]

CAS No. :16874-34-3
Formula : C7H12O3
M.W : 144.17
SMILES Code : O=C(C1OCCC1)OCC
MDL No. :MFCD08063871
InChI Key :GQQLWKZRORYGHY-UHFFFAOYSA-N
Pubchem ID :10103286

Safety of [ 16874-34-3 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Computational Chemistry of [ 16874-34-3 ] Show Less

Physicochemical Properties

Num. heavy atoms 10
Num. arom. heavy atoms 0
Fraction Csp3 0.86
Num. rotatable bonds 3
Num. H-bond acceptors 3.0
Num. H-bond donors 0.0
Molar Refractivity 36.02
TPSA ?

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

35.53 Ų

Lipophilicity

Log Po/w (iLOGP)?

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

2.11
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

0.89
Log Po/w (WLOGP)?

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

0.73
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.

0.35
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

1.26
Consensus Log Po/w?

Consensus Log Po/w: Average of all five predictions

1.07

Water Solubility

Log S (ESOL):?

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

-1.1
Solubility 11.5 mg/ml ; 0.0801 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.

-1.22
Solubility 8.67 mg/ml ; 0.0601 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

-0.96
Solubility 15.9 mg/ml ; 0.11 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

Yes
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.

-6.55 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)

2.5

Application In Synthesis of [ 16874-34-3 ]

* 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 [ 16874-34-3 ]

[ 16874-34-3 ] Synthesis Path-Downstream   1~35

  • 1
  • [ 88-14-2 ]
  • [ 64-17-5 ]
  • [ 16874-34-3 ]
  • 2
  • [ 88-14-2 ]
  • [ 75-07-0 ]
  • [ 16874-34-3 ]
  • 3
  • [ 693-03-8 ]
  • [ 16874-34-3 ]
  • 5-tetrahydro[2]furyl-nonan-5-ol [ No CAS ]
  • 4
  • [ 16874-34-3 ]
  • [ 925-90-6 ]
  • 3-tetrahydro[2]furyl-pentan-3-ol [ No CAS ]
  • 7
  • [ 16874-34-3 ]
  • [ 1007476-32-5 ]
  • ethyl 3-oxo-3-(tetrahydrofuran-2-yl)propanoate [ No CAS ]
  • 8
  • [ 16874-34-3 ]
  • phenylmagnesium bromide [ No CAS ]
  • [ 25330-02-3 ]
  • 9
  • [ 16874-34-3 ]
  • [ 100-66-3 ]
  • [ 103329-62-0 ]
  • 11
  • [ 16874-34-3 ]
  • [ 67-64-1 ]
  • 1-tetrahydro[2]furyl-butane-1,3-dione [ No CAS ]
  • 13
  • [ 16874-34-3 ]
  • [ 59293-11-7 ]
YieldReaction ConditionsOperation in experiment
With hydrazine; In butan-1-ol; for 3h;Heating / reflux; a) (rac.)-(Tetrahydro-furan-2-yl)-acetic acid hydrazide A solution of (rac.)-(tetrahydro-furan-2-yl)-acetic acid ethyl ester (3.84 g, 24 mmol) in n-butanol (24 mL) was treated with hydrazine hydrate (1.4 mL, 29 mmol) and the resulting mixture was then heated under reflux for 3 h. The solvent was evaporated and residual volatile components were azeotropically removed by coevaporation with toluene. Chromatographic purification (SiO2, dichloromethane:methanol:aq.ammonia (25%)=100:0:0 to 90:10:1) afforded the title compound as a viscous, colorless oil (1.1 g, 32%). 1H-NMR (300 MHz, DMSO): delta=1.45 (mc, 1H), 1.70-1.95 (m, 3H), 2.13 (dd, J=6 Hz, J=14 Hz, 1H), 2.24 (dd, J=7 Hz, J=14 Hz, 1H), 3.56 (dd, J=8 Hz, J=14 Hz, 1H), 3.72 (dd, J=7 Hz, J=14 Hz, 1H), 4.05 (mc, 1H), 4.16 (s, 2H), 8.94 (s, 1H).
  • 14
  • [ 16874-34-3 ]
  • [ 91470-28-9 ]
  • 15
  • [ 614-99-3 ]
  • [ 16874-34-3 ]
YieldReaction ConditionsOperation in experiment
96.9% With 5%-palladium/activated carbon; hydrogen; In ethanol; at 30 - 150℃; under 15001.5 Torr;Large scale; 10359] 3010 g (21.5 mol) of thran-2-carboxylic acid ethyl ester, 500 ml of ethanol (1% MEK) and 20 g of catalyst, palladium on A-carbon dry, 5% Pd, type K-0227T) are initially introduced together and heated under a hydrogen pressure of 20 bat The reaction starts at 30-40C. and is relatively strongly exothermic. After 1-1.5 hat 60-70 C., the hydrogen absorption is as good as finished. The mixture is slowly heated to 140-150 C. and then stirred for a further 2-3 hat this temperature. GC control: starting material no longer present.10360] Filter off from the catalyst and concentrate the filtrate on a rotary evaporator (water bath: 60-70 C., 200-20 mbar). The crude yield is 3055 g.10361] The evaporated crude product is distilled with the addition of 0.1% by weight of Na2CO3 over a short column (b.p.: 9 1-93 C./40 mbar).10362] Yield: 2999 g (96.9% of theory)10363] ?H NMR (400 MHz, chioroform-d) oe 4.44 (dd, J=8.4, 5.2 Hz, 1H), 4.20 (qd, J=7.1, 1.7 Hz, 2H), 4.05-3.98 (m, 1H), 3.95-3.88 (m, 1H), 2.30-2.19 (m, 1H), 2.06-1.85 (m, 3H), 1.29 (t, J=7.1 Hz, 3H)10364] ?3C NMR (101 MHz, CDC13) oe 173.38, 76.80,69.33, 60.87, 30.20, 25.27, 14.24
  • 16
  • [ 503-30-0 ]
  • [ 623-73-4 ]
  • [ 67-56-1 ]
  • [ 16874-34-3 ]
  • [ 3938-96-3 ]
  • [ 17640-26-5 ]
  • [ 15224-07-4 ]
  • [ 98240-05-2 ]
  • [ 96516-90-4 ]
  • 17
  • [ 503-30-0 ]
  • [ 623-73-4 ]
  • [ 67-56-1 ]
  • [ 16874-34-3 ]
  • [ 15224-07-4 ]
  • [ 98240-05-2 ]
  • [ 96516-90-4 ]
  • 20
  • [ 16874-34-3 ]
  • [ 18162-48-6 ]
  • [ 131237-51-9 ]
  • [ 131237-50-8 ]
  • 21
  • [ 16874-34-3 ]
  • 5-Bromo-2-hydroxy-pentanoic acid ethyl ester [ No CAS ]
  • 2-Bromo-5-hydroxy-pentanoic acid ethyl ester [ No CAS ]
  • 22
  • [ 16874-34-3 ]
  • [ 75-36-5 ]
  • [ 99062-29-0 ]
  • 23
  • [ 16874-34-3 ]
  • [ 3332-08-9 ]
  • 3-(3-Isopropylamino-5-methyl-phenyl)-propan-1-ol [ No CAS ]
  • (Z)-3-Isopropylamino-1-(tetrahydro-furan-2-yl)-but-2-en-1-one [ No CAS ]
  • 24
  • [ 693-03-8 ]
  • [ 16874-34-3 ]
  • [ 33964-71-5 ]
  • [ 33964-71-5 ]
  • 25
  • [ 16874-34-3 ]
  • [ 1826-67-1 ]
  • [ 263355-75-5 ]
  • 28
  • [ 16874-34-3 ]
  • [ 541-41-3 ]
  • ZnCl2 [ No CAS ]
  • 2-ethoxycarbonyloxy-5-chloro-valeric acid ethyl ester [ No CAS ]
  • 29
  • [ 16874-34-3 ]
  • [ 7446-70-0 ]
  • [ 100-66-3 ]
  • [ 1730-58-1 ]
  • [ 103329-62-0 ]
  • [ 108-95-2 ]
  • 30
  • [ 16874-33-2 ]
  • [ 64-17-5 ]
  • [ 16874-34-3 ]
YieldReaction ConditionsOperation in experiment
91% With sulfuric acid; for 16h;Heating / reflux; To a solution of TETRAHYDROFURAN-2-CARBOXYLIC acid (20 g, 172. 2356 MMOL) in anhydrous ethanol (100 mL) was added concentrated sulfuric acid (0. 46 mL). The resulting mixture was stirred at reflux for 16 hours and then allowed to cool to ambient temperature. To this was added water (100 mL) and extracted with diethyl ether (3x100 mL). The combined organic extracts were washed with saturated aqueous sodium bicarbonate (2X50 mL), saturated aqueous sodium chloride (100 ML), dried (anhydrous magnesium sulfate), filtered and concentrated in vacuo to afford the pure product as a colorless liquid (22. 5964 g, 91 %). LRMS (m/z) : 145 (M+H) +. 'H NMR (CDCI3, 300 MHz) 4. 38 (1H, dd, J= 4. 9, 8. 1 HZ), 4. 14 (2H, q, J= 7. 2 Hz), 3. 99-3. 92 (1 H, m), 3. 88-3. 81 (1 H, M), 2. 24-2. 12 (1 H, M), 2. 00-1. 79 (3H, m), 1. 22 (3H, t, J=7. 2Hz).
With sulfuric acid; at 80℃; for 6h; Step 1: Synthesis of ethyl tetrahydrofuran-2-carboxylate:To a stirred solution of tetrahydrofuran-2-carboxylic acid (about 10 g) in ethanol (150 ml), sulfuric acid (about 10 ml) was added and refluxed for 6 hours at 80 C. Completion of the reaction was monitored by TLC, reaction mixture was evaporated under reduced pressure, the residue was taken in water, neutralized with saturated NaHC03 and extracted with DCM, the organic layer was dried over a2S04 and concentrated under reduced pressure. The residue was purified by silica gel column chromatography using 5% ethyl acetate in hexane as eluent to furnish the title compound (12 g) as a light yellow liquid. NMR (300 MHz, CDC13): 1.22- 1.27 (m, 3H); 1.57- 1.87 (m, 8H); 2.65-2.76 (m, 1H); 4.08-4.15 (m, 2H); ES Mass: [M+l ] 143 (100%).
With thionyl chloride; at 0 - 20℃; for 2h; Example 228 - Preparation of Intermediate 55 The synthesis of Intermediate 55 followed the procedure of General Procedure 7 following: Intermediate 55 To a cooled solution (0C) of tetrahydrofuran-2-carboxylic acid (5.8 g, 43 mmol) in Ethanol (40 mL) was added thionyl chloride (9.6 mL, 129 mmol). After stirring at this temperature for 2 hours, the mixture was concentrated under reduced pressure. The mixture was diluted with water (20 mL) and extracted into Diethyl ether (3 x 100 mL). The combined organic layers were dried over sodium sulfate, filtered and concentrated under reduced pressure to give ethyl tetrahydrofuran-2-carboxylate (Intermediate 55, 6 g, yield: 96%) as an oily residue that was used without further purification into the next step. m/z 145.03 [M+H]+; TLC System: 10% Methanol- dichloromethane; Rf-0.6.
  • 31
  • [ 16874-34-3 ]
  • [ 87392-07-2 ]
  • [ 87392-05-0 ]
  • ethyl (S)-tetrahydrofuran-2-carboxylate [ No CAS ]
  • ethyl (R)-tetrahydrofuran-2-carboxylate [ No CAS ]
  • 32
  • [ 784149-40-2 ]
  • [ 16874-34-3 ]
  • [ 784149-47-9 ]
YieldReaction ConditionsOperation in experiment
90% Sodium (bis) trimethylsilyl amide (3. 18 mL of 1M solution in tetrahydrofuran, 3. 18 MMOL) was added dropwise to a solution of ethyl 2-tetrahydrofuranoate (0. 458 g, 3. 18 MMOL) in anhydrous tetrahydrofuran (4 mL) at-50 C. The mixture was stirred for 45 minutes and then a solution of 5- (iodomethyl)-2- [2- (5-methyl-2- phenyl-1, 3-oxazol-4-yl) ethoxy] pyridine (Preparation 28) (0. 267 g, 0. 64 MMOL) in anhydrous tetrahydrofuran (2 mL) was added dropwise. The resulting mixture was stirred at-50 C for 1. 5 hours then quenched with saturated aqueous ammonium chloride and warmed to ambient temperature. The mixture was extracted with ethyl acetate and the organic phase dried (anhydrous magnesium sulfate), filtered and evaporated. The residue was purified by flash column chromatography (25% to 35% ethyl ACETATE/HEXANES) to yield the title compound as a colorless oil (0. 250 G, 90%). LRMS (m/z) : 437 (M+H) +. H NMR (CDCI3, 300 MHz) 7. 95 (3H, m), 7. 51 (1H, dd, J = 2. 5, 8. 5 Hz), 7. 43-7. 36 (3H, m), 6. 61 (1H, D, J = 8. 5 Hz), 4. 51 (2H, t, J = 6. 8 Hz), 4. 29-4. 18 (9 H, M), 413 (2H, q, J = 7. 2 HZ), 3. 95-3. 82 (2H, m), 3. 10 (1H, d, J = 14. 1 HZ), 2. 95 (2H, T, J = 6. 8 Hz), 2. 86 (1 H, D, J = 14. 1 Hz), 2. 31 (3H, s), 2. 26-2. 20 (1 H, M), 1. 92-1. 77 (2H, m), 1. 70-1. 61 (1H, m), 1. 21 (3H, t, J= 7. 2 HZ).
  • 33
  • [ 16874-34-3 ]
  • [ 182924-36-3 ]
  • [ 919361-16-3 ]
  • 34
  • [ 16874-34-3 ]
  • [ 101990-45-8 ]
  • [ 784149-56-0 ]
YieldReaction ConditionsOperation in experiment
78% With ammonium chloride; lithium diisopropyl amide; In tetrahydrofuran; n-heptane; ethylbenzene; ethyl acetate; Preparation c-81 Ethyl 2-[(6-bromopyridin-3-yl)methyl]tetrahydrofuran-2-carboxylate To a solution of <strong>[16874-34-3]ethyl tetrahydrofuran-2-carboxylate</strong> (52.9 mmol, 9.10 g, 1.5 eq.) cooled to -78 degrees C. in THF (90 mL) was added dropwise a solution of 2 M lithium diisopropylamide (52.9 mmol, 1.5 eq.) in a mixture of heptane/THF/ethylbenzene. The enolate was allowed to form for one hour at the same low temperature whereupon a solution of 2-bromo-5-(bromomethyl)pyridine (35.3 mmol, 8.85 g, 1.0 eq.) in THF was added dropwise. The reaction was allowed to warm slowly to room temperature overnight. The reaction was quenched with saturated ammonium chloride. The mixture was extracted with ethyl acetate and the organic extract was washed with brine. The organic layer was dried over anhydrous magnesium sulfate and concentrated in vacuo to yield a yellow oil. This crude product was purified on a Biotage Sp4 65i over a gradient of 5% to 95% ethyl acetate in hexanes to afford a golden oil (8.70 g, 78%). LRMS: 315 (M+H)+. 1H NMR (DMSO-d6, 400 MHz): delta 8.21 (1 H, s) 7.40-7.49 (2 H, m) 3.94 (2 H, q, J=7.0 Hz) 3.71-3.85 (2 H, m) 3.05-3.11 (1 H, m) 2.91-2.97 (1 H, m) 2.38-2.47 (1 H, m) 1.83-2.09 (3 H, m) 1.09 (3 H, t, J=7.0 Hz)
78% To a solution of <strong>[16874-34-3]ethyl tetrahydrofuran-2-carboxylate</strong> (52. 9 mmol, 9. 10 g, 1. 5 eq.) cooled to-78 degrees C in THF (90 mL) was added dropwise a solution of 2 M lithium DIISOPROPYLAMIDE (52. 9 mmol, 1. 5 eq.) in a mixture of heptane/THF/ethylbenzene. The enolate was allowed to form for one hour at the same low temperature whereupon a solution of 2-BROMO-5- (BROMOMETHYL) pyridine (35. 3 MMOL, 8. 85 g, 1. 0 eq.) in THF was added dropwise. The reaction was allowed to warm slowly to room temperature overnight. The reaction was quenched with saturated ammonium chloride. The mixture was extracted with ethyl acetate and the organic extract was washed with brine. The organic layer was dried over anhydrous magnesium sulfate and concentrated in vacuo to yield a yellow oil. This crude product was purified on a Biotage SP4 65i over a gradient of 5% to 95 % ethyl acetate in hexanes to afford a golden oil (8. 70 g, 78%). LRMS : 315 (M+H) T. H NMR (DMSO-D6, 400 MHz) :. 8. 21 (1 H, s) 7. 40-7. 49 (2 H, m) 3. 94 (2 H, q, J=7. 0 Hz) 3. 71-3. 85 (2 H, m) 3. 05-3. 11 (1 H, m) 2. 91-2. 97 (1 H, m) 2. 38-2. 47 (1 H, m) 1. 83-2. 09 (3 H, m) 1. 09 (3 H, t, J=7. 0 HZ)
  • 35
  • [ 16874-33-2 ]
  • [ 16874-34-3 ]
YieldReaction ConditionsOperation in experiment
91% With sulfuric acid; In ethanol; water; Preparation c-90 Ethyl tetrahydrofuran-2-carboxylate To a solution of tetrahydrofuran-2-carboxylic acid (20 g, 172.2356 mmol) in anhydrous ethanol (100 mL) was added concentrated sulfuric acid (0.46 mL). The resulting mixture was stirred at reflux for 16 hours and then allowed to cool to ambient temperature. To this was added water (100 mL) and extracted with diethyl ether (3*100 mL). The combined organic extracts were washed with saturated aqueous sodium bicarbonate (2*50 mL), saturated aqueous sodium chloride (100 mL), dried (anhydrous magnesium sulfate), filtered and concentrated in vacuo to afford the pure product as a colorless liquid (22.5964 g, 91%). LRMS (m/z): 145 (M+H)+. 1H NMR (CDCl3, 300 MHz) delta 4.38 (1H, dd, J=4.9, 8.1 Hz), 4.14 (2H, q, J=7.2 Hz), 3.99-3.92 (1H, m), 3.88-3.81 (1H, m), 2.24-2.12 (1H, m), 2.00-1.79 (3H, m), 1.22 (3H, t, J=7.2 Hz).
 

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Technical Information

Categories

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[ 16874-34-3 ]

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Related Parent Nucleus of
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Tetrahydrofurans

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