Home Cart Sign in  
Chemical Structure| 42726-73-8 Chemical Structure| 42726-73-8

Structure of 42726-73-8

Chemical Structure| 42726-73-8

*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 [ 42726-73-8 ]

CAS No. :42726-73-8
Formula : C8H14O4
M.W : 174.19
SMILES Code : C(C(OC(C)(C)C)=O)C(OC)=O
MDL No. :MFCD00042856
InChI Key :XPSYZCWYRWHVCC-UHFFFAOYSA-N
Pubchem ID :2733872

Safety of [ 42726-73-8 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H227-H315-H319-H335
Precautionary Statements:P305+P351+P338

Computational Chemistry of [ 42726-73-8 ] Show Less

Physicochemical Properties

Num. heavy atoms 12
Num. arom. heavy atoms 0
Fraction Csp3 0.75
Num. rotatable bonds 5
Num. H-bond acceptors 4.0
Num. H-bond donors 0.0
Molar Refractivity 43.18
TPSA ?

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

52.6 Ų

Lipophilicity

Log Po/w (iLOGP)?

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

2.36
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

1.12
Log Po/w (WLOGP)?

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

0.89
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.

0.93
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

0.85
Consensus Log Po/w?

Consensus Log Po/w: Average of all five predictions

1.23

Water Solubility

Log S (ESOL):?

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

-1.3
Solubility 8.82 mg/ml ; 0.0506 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.

-1.82
Solubility 2.65 mg/ml ; 0.0152 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

-1.26
Solubility 9.64 mg/ml ; 0.0553 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.

-6.57 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

2.0 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)

1.73

Application In Synthesis of [ 42726-73-8 ]

* 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 [ 42726-73-8 ]

[ 42726-73-8 ] Synthesis Path-Downstream   1~35

  • 1
  • [ 186581-53-3 ]
  • [ 40052-13-9 ]
  • [ 42726-73-8 ]
  • 2
  • [ 42726-73-8 ]
  • [ 78-94-4 ]
  • [ 109018-87-3 ]
  • 3
  • [ 16695-14-0 ]
  • [ 115-11-7 ]
  • [ 42726-73-8 ]
  • 5
  • [ 42726-73-8 ]
  • [ 24105-25-7 ]
  • [ 24105-24-6 ]
  • 6
  • [ 42726-73-8 ]
  • [ 40710-05-2 ]
YieldReaction ConditionsOperation in experiment
92% General procedure: To a solution of the malonate (2.53 mmol) in CH3CN (15 mL), para-acetoamidobenzenesulfonyl azide (669 mg, 2.78 mmol) was added. The solution was stirred and cooled to 0°C for 15 minutes then Et3N (1.1 mL, 7.89 mmol) was added. The temperature was maintained at 0°C for 15 minutes then the solution was warmed to room temperature and stirred overnight. The solvent was removed under reduced pressure and the white residue was washed with 1:1 petroleum ether/Et2O. The washings were collected and the solvent was removed under reduced pressure. The crude yellow oil was subjected to column chromatography.
  • 8
  • [ 186581-53-3 ]
  • [ 2033-24-1 ]
  • [ 75-65-0 ]
  • [ 42726-73-8 ]
  • 9
  • [ 4549-32-0 ]
  • [ 42726-73-8 ]
  • 2-(8-Bromo-octyl)-malonic acid tert-butyl ester methyl ester [ No CAS ]
  • 10
  • [ 4549-31-9 ]
  • [ 42726-73-8 ]
  • [ 150127-07-4 ]
YieldReaction ConditionsOperation in experiment
In N-methyl-acetamide; Sodium hydride (3.04 g of a 50percent oil dispersion, 127 mmol) is suspended in dimethylformamide (300 ml) and the suspension is cooled to 0° C. t-Butyl methyl malonate (20.08 g, 115 mmol) is added dropwise slowly and the reaction mixture is warmed to room temperature. 1,7-Dibromoheptane (29.75 g, 115 mmol) is added dropwise and the mixture is stirred for 3 hours. The mixture is partitioned between diethyl ether (500 ml) and water (1000 ml). The organic layer is washed with water (3*500 ml), brine (1*500 ml), dried (MgSO4) and the solvent is evaporated. The product is purified by silica gel chromatography (10percent ethyl acetate/hexane) to give t-butyl methyl 7-bromoheptylmalonate as an oil.
  • 11
  • [ 42726-73-8 ]
  • [ 27607-77-8 ]
  • [ 51849-23-1 ]
  • 12
  • [ 42726-73-8 ]
  • [ 59995-48-1 ]
  • [ 110027-65-1 ]
  • 13
  • [ 42726-73-8 ]
  • [ 78229-35-3 ]
  • [ 78381-13-2 ]
  • 14
  • [ 42726-73-8 ]
  • [ 78229-29-5 ]
  • [ 78381-02-9 ]
  • [ 78381-02-9 ]
  • 15
  • [ 42726-73-8 ]
  • (1RS,6SR)-2-chloromethyl-1,6-dimethylcyclohex-2-enylmethyl ethanesulfonate [ No CAS ]
  • (3aRS,4SR)-tert-butyl-3a,4-dimethyl-2,3,3a,4,5,6-hexahydro-1H-indene-2-carboxylate [ No CAS ]
  • 16
  • [ 42726-73-8 ]
  • [ 40052-13-9 ]
  • 18
  • [ 42726-73-8 ]
  • [ 104-87-0 ]
  • [ 106098-02-6 ]
  • [ 106098-26-4 ]
  • 19
  • [ 42726-73-8 ]
  • [ 555-16-8 ]
  • [ 106098-19-5 ]
  • [ 106098-38-8 ]
  • 20
  • [ 42726-73-8 ]
  • [ 72812-09-0 ]
  • [ 98188-19-3 ]
  • 21
  • [ 42726-73-8 ]
  • [ 627-11-2 ]
  • [ 121020-75-5 ]
  • 24
  • [ 105-53-3 ]
  • [ 75-65-0 ]
  • [ 42726-73-8 ]
  • 25
  • [ 42726-73-8 ]
  • Toluene-4-sulfonic acid; compound with phenyl-methanethiol [ No CAS ]
  • [ 42726-72-7 ]
  • 26
  • [ 42726-73-8 ]
  • [ 96-32-2 ]
  • 1,2,2,3-propanetetracarboxylic acid 2-tert-butyl ester 1,2,3-trimethyl ester [ No CAS ]
  • 27
  • [ 42726-73-8 ]
  • 2-Chlorocarbonyl-benzoic acid pent-4-enyl ester [ No CAS ]
  • [ 190185-22-9 ]
  • 28
  • [ 1476-11-5 ]
  • [ 42726-73-8 ]
  • [ 635318-60-4 ]
YieldReaction ConditionsOperation in experiment
Add a solution [OF T-BUTYL] methylmalonate (129 g, 0.75 mol) in THF (385 mL) to a slurry of LiH (14.9 g, 1.875 mol) in THF (900 mL) and [N, N-DIMETHYLPROPYLENE] urea (DMPU, 155 g, 1.2 mol) over 30 minutes while maintaining the temperature at [0-5 °C.] Heat the reaction mixture to [65 °C] and add a solution [OF CIS-1, 4-DICHLORO-2-BUTENE] (95percent, 100 g, 0.8 mol, 1. [08 EQ)] in THF (100 mL) over 5.5 hours, maintaining the temperature at [63-67 °C.] Stir the reaction for 4 hours at [65 °C.] A water/MTBE work-up of the reaction mixture yields [1- (METHOXYCARBONYL)-1- (TERT-BUTOXYCARBONYL)] cyclopent-3-ene. 'H NMR (300 MHz, [CDC13)] 8 5.57 (s, 2H, CH=CH), 3.71 [{S,] 3H, CH3), 2.95 (s, 4H, 2CH2), 1.42 (s, 9H, C (CH3) 3). IR (film) 1734 [(C=O),] 1646,1268, 1149 [CM-1.] Cool the reaction solution containing [1-(METHOXYCARBONYL)-1-(TERT-] butoxycarbonyl) cyclopent-3-ene to [10-15 °C] and add to a cooled solution [(10-15 °C)] of 1 N [NAOH] (1.3 L, 1.3 mol) over 30 minutes. Stir the reaction solution at [25 °C] for 24 hours and monitored by GC assay. When the hydrolysis reaction is complete, add MTBE (645 mL) to the reaction mixture and stir the solution for 5 minutes. Allow the layers to settle and separate. Discard the organic layer. Add 1.5 M [NAHS04] solution (1470 mL) to make the aqueous layer acidic (pH 2-3). Add MTBE (1.3 L) and separate the layers. Extract the aqueous layer with MTBE (385 mL) and wash the combined organic layers with 5percent [LICI] solution. Concentrate the organic layer under vacuum and dilute with heptane (780 mL). Concentrate the solution to approximately 500 mL and stir the resulting slurry 1 hour at ambient temperature. Filter the solid, wash with heptane (250 mL), and vacuum dry at [35 °C] to give 103.29 g (61percent yield) [OF L- (CARBOXYLIC ACID)-1- (TERT-] butoxycarbonyl) cyclopent-3-ene as a white solid. [MP=119°C.] 'H NMR (300 MHz, [CD13),] 8 5.61 (s, 2H, CH=CH), 3.00 (s, 4H, 2CH2), 1.46 (s, 9H, C (CH3) [3).] IR: 3800-3000 (br, COOH), 1741 [(CO2R),] 1705 [(CO2H),] 1283), 1149 [CM-APOS;.] Dissolve [1-(CARBOXYLIC ACID)-1-(TERT-BUTOXYCARBONYL) CYCLOPENT-3-ENE] (50 g, [236] mmol) in 850 mL of 70: 30 toluene: MTBE under nitrogen in a 1 L flask with mechanical stirrer. Add thionyl chloride (33.6 g, 283 mmol, 1.2 equiv) to the [STIRRED] reaction mixture, maintaining the temperature at [23 °C.] Cool the reaction solution to [0-5 °C] and add triethylamine (32.2 g, 318 mmol, 1.35 equiv) dropwise over 30 minutes. Warm the reaction mixture to [23 °C] and stir for 1 hour. Add the reaction mixture rapidly dropwise to deionized water (625 mL), maintaining the temperature at [20-25 °C.] Separate the layers and wash the organic layer with 500 mL 1 M [NAHC03] solution. Concentration of the organic layer isolates [1-(CHLOROCARBONYL)-1-(TERT-BUTOXYCARBONYL)] cyclopent-3-ene as a light yellow liquid. 'H NMR (300 MHz, [CDC13)] [8] 5.61 (s, 2H, CH=CH), 3.04 (app q, J = 15.1 Hz, 4H, 2CH2), 1.49 (s, 9H, C (CH3) [3).] IR (film) 1796 [(COCI),] 1743 [(C02R),] [1274,] 1233,1158 [CMAPOS;APOS;.] Add a solution of tetrabutyl ammonium hydrogen sulfate (0.81 g, 2.4 mmol) in deionized water (700 mL) to sodium azide (20.16 g, 310 mmol). Add the solution containing [1- (CHLOROCARBONYL)-1- (TERT-BUTOXYCARBONYL)] cyclopent-3-ene in MTBE/toluene to the azide solution over 45 minutes. Stir the reaction mixture for 3 hours at [23 °C] until the [1-(CHLOROCARBONYL)-1-(TERT-BUTOXYCARBONYL)] cyclopent-3-ene is consumed, as [CONFIRMED] by GC analysis of the reaction solution. Separate the layers and wash the organic layer with 1 M [NAHC03] (540 mL) and deionized water (540 mL, then 270 mL). Dry the organic layer with [NA2SO4] and filter. Concentrate the solution under vacuum to yield [1-(ACYL AZIDE)-1-(TERT-BUTOXYCARBONYL)] cyclopent-3-ene as as an oil. [APOS;H] NMR (300 MHz, [CDCIS) 8] 5.58 (s, 2H, CH=CH), 2.96 (app t, J = 2.3 Hz, 4H, 2CH2), 1.46 (s, 9H, C (CH3) [3).] IR (film) 2137 [(CON3),] 1720 [(C02R),] 1246 (s, 1185,1136 [CMAPOS;APOS;.] Add the solution [OF L-(ACYL AZIDE)-L-(TERT-BUTOXYCARBONYL)] cyclopent-3-ene over 1 hour to 110 mL of toluene at [95 °C.] Evolution of nitrogen gas is addition rate controlled under these conditions. Distill MTBE from the reaction during the addition. Stir the reaction for 1 hour at [95 °C,] and allow to cool to [23APOS;C OVERNIGHT.] Concentration of the solvent under vacuum yields [1-(ISOCYANATE)-1-(TERT-BUTOXYCARBONYL)] cyclopent-3-ene as an oil. 'H NMR (300 MHz, [CDCI3)] 8 5.67 (s, 2H, CH=CH), 3.01 (d, J = 15.6 Hz, 2H), 2.61 (d, J [= 15.] 6 Hz, 2H), 1.50 (s, 9H, C [(CH3)] [3).] IR (film) 2258 (-NCO), 1732 [(-CO2R),] 1157 cm-'. Add t-butanol (35 g, 471 mmol) to a solution of potassium t-butoxide [(1M] in THF, 471 mL, 471 mmol) under nitrogen. Cool the reaction solution was cooled to 0-5 [°C] and add the toluene solution containing [1- (ISOCYANATE)-L- (TERT-] butoxycarbonyl) cyclopent-3-ene over 60 minutes, maintaining the temperature at 0-10 [°C.] Warm the reaction to [23 °C,] stir f...
  • 29
  • [ 42726-73-8 ]
  • [ 2937-50-0 ]
  • [ 134209-82-8 ]
  • 30
  • [ 197520-90-4 ]
  • [ 75-65-0 ]
  • [ 42726-73-8 ]
  • 32
  • [ 16526-19-5 ]
  • [ 42726-73-8 ]
  • r-t-butyl methyl t-2-isopropenylcyclopropane-1,1-dicarboxylate [ No CAS ]
  • 33
  • [ 4548-45-2 ]
  • [ 42726-73-8 ]
  • [ 292600-21-6 ]
YieldReaction ConditionsOperation in experiment
85% With potassium carbonate; In N,N-dimethyl-formamide; at 100℃; for 24h;Inert atmosphere; Under a nitrogen atmosphere, 2-chloro-5-nitro pyridine (2.0 g, 12.61 mmol) was dissolved in DMF (21 mL, 0.6 M). To this was added tert butylmethyl malonate (2.56 mL, 15.1 mmol) followed by potassium carbonate (3.49 g, 25.2 mmol) at 25 °C.The reaction was heated to 85 °C for 12 h, at which point the temperature was adjusted to 100 °C for 12h. The reaction was cooled to 25 °C, and saturated ammonium chloride (30 mL) was added. The layerswere separated, and the aq. phase was extracted with EtOAc (3 x 30 mL), dried with MgSO4 andconcentrated. The crude product was purified via column chromatography (0-60percent EtOAc/heptane) todeliver the product (3.18 g, 85percent). 1H NMR (400 MHz, CDCl3) delta 9.38 (s, 1H), 8.51-8.49 (dd, J = 8.8, 2.3 Hz, 1H), 7.75-7.74 (d, J = 8.8 Hz, 1H),5.00 (s, 1H), 3.80 (s, 3H), 1.47 (s, 9H).13C NMR (101 MHz, CDCl3) delta 167.24, 165.31, 159.27, 144.58, 131.65, 124.28, 83.70, 61.24, 53.16, 27.81.LRMS (ESI) m/z: calc?d for C13H16N2O6 [M+H] 297.11, found 297.7.
51% Synthesis of compound 18.2. To a solution of compound 18.1 (2.5 g, 15.8mmol, 1.00 equiv) in dry DMF (25mL) at 0°C, was added sodium hydride (60percent suspension in mineral oil) (1.45 g, 36.2mmol, 2.3 eq.) and the suspension was stirred at room temperature for 30 minutes. Tert-butyl methyl malonate (3.3g, 18.9 mmol, 1.2 equiv.) was added dropwise to the above reaction mixture at 0 °C. The reaction mixture was stirred at same temperature for 2 hours. The mixture was poured into water and extracted with ethyl acetate (100 mL X 3). The combined organic layers were washed with water and brine. Then dried over sodium sulfate and the solvent was removed under reduced pressure. The crude material was purified by column chromatography to furnish compound 18.2 (2.4g, 51percent). MS (ES) m/z=297 [M+H]+.
  • 34
  • [ 42726-73-8 ]
  • [ 64356-76-9 ]
  • 2-benzyloxycarbonylamino-3-methoxycarbonyl-succinic acid 4-<i>tert</i>-butyl ester 1-methyl ester [ No CAS ]
  • 35
  • [ 42726-73-8 ]
  • 3-benzyl-4-(4-hydroxy-phenyl)-1-phenyl-azetidin-2-one [ No CAS ]
  • (3S,4R,5R)-5-Benzyl-4-(4-hydroxy-phenyl)-2,6-dioxo-1-phenyl-piperidine-3-carboxylic acid [ No CAS ]
 

Historical Records

Technical Information

Categories

Related Functional Groups of
[ 42726-73-8 ]

Aliphatic Chain Hydrocarbons

Chemical Structure| 40052-13-9

A104350 [40052-13-9]

3-tert-Butoxy-3-oxopropanoic acid

Similarity: 1.00

Chemical Structure| 32864-38-3

A172679 [32864-38-3]

tert-Butyl ethyl malonate

Similarity: 1.00

Chemical Structure| 541-16-2

A241550 [541-16-2]

Di-tert-Butyl malonate

Similarity: 1.00

Chemical Structure| 671802-00-9

A143357 [671802-00-9]

tert-Butyl 3-(2-hydroxyethoxy)propanoate

Similarity: 0.93

Chemical Structure| 133803-81-3

A485329 [133803-81-3]

tert-Butyl 3-(2-(2-hydroxyethoxy)ethoxy)propanoate

Similarity: 0.93

Esters

Chemical Structure| 40052-13-9

A104350 [40052-13-9]

3-tert-Butoxy-3-oxopropanoic acid

Similarity: 1.00

Chemical Structure| 32864-38-3

A172679 [32864-38-3]

tert-Butyl ethyl malonate

Similarity: 1.00

Chemical Structure| 541-16-2

A241550 [541-16-2]

Di-tert-Butyl malonate

Similarity: 1.00

Chemical Structure| 671802-00-9

A143357 [671802-00-9]

tert-Butyl 3-(2-hydroxyethoxy)propanoate

Similarity: 0.93

Chemical Structure| 133803-81-3

A485329 [133803-81-3]

tert-Butyl 3-(2-(2-hydroxyethoxy)ethoxy)propanoate

Similarity: 0.93