成人免费xx,国产又黄又湿又刺激不卡网站,成人性视频app菠萝网站,色天天天天

Home Cart 0 Sign in  

[ CAS No. 14755-02-3 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 14755-02-3
Chemical Structure| 14755-02-3
Structure of 14755-02-3 * Storage: {[proInfo.prStorage]}

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

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

Quality Control of [ 14755-02-3 ]

Related Doc. of [ 14755-02-3 ]

Alternatived Products of [ 14755-02-3 ]
Product Citations

Product Details of [ 14755-02-3 ]

CAS No. :14755-02-3 MDL No. :MFCD00004390
Formula : C9H8O3 Boiling Point : -
Linear Structure Formula :- InChI Key :KKSDGJDHHZEWEP-SNAWJCMRSA-N
M.W : 164.16 Pubchem ID :637541
Synonyms :
(E)-m-Coumaric acid
Chemical Name :(E)-3-(3-Hydroxyphenyl)acrylic acid

Calculated chemistry of [ 14755-02-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 2
Num. H-bond acceptors : 3.0
Num. H-bond donors : 2.0
Molar Refractivity : 45.13
TPSA : 57.53 ?2

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) : -6.03 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.14
Log Po/w (XLOGP3) : 1.79
Log Po/w (WLOGP) : 1.38
Log Po/w (MLOGP) : 1.28
Log Po/w (SILICOS-IT) : 1.22
Consensus Log Po/w : 1.36

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -2.22
Solubility : 0.981 mg/ml ; 0.00598 mol/l
Class : Soluble
Log S (Ali) : -2.62
Solubility : 0.397 mg/ml ; 0.00242 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.28
Solubility : 8.67 mg/ml ; 0.0528 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.74

Safety of [ 14755-02-3 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P264-P280-P337+P313-P305+P351+P338-P302+P352-P332+P313-P362 UN#:N/A
Hazard Statements:H315-H319 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 14755-02-3 ]

* 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 [ 14755-02-3 ]

[ 14755-02-3 ] Synthesis Path-Downstream   1~5

  • 1
  • [ 14755-02-3 ]
  • [ 100-39-0 ]
  • [ 122024-75-3 ]
YieldReaction ConditionsOperation in experiment
92% (￡)-3-(3-(Benzyloxy)phenyl)prop-2-enoic acid (4).3; To a stirred suspension of 3- hydroxycinnamic acid (5.00 g, 30.5 mmol) in EtOH (100 mL) was added 1 M aq. NaOH (65 mL) and the reaction mixture was stirred for 5 min, then treated with benzyl bromide (3.72 mL, 31.1 mmol) and stirred for 14 h at room temperature under N2. The mixture was concentrated under reduced pressure to yield a white solid, which was suspended in water (400 mL) and acidified with cone. aq. HC1. The mixture was filtered and the resulting solid was washed with water and Et20, then dried under high vacuum to give 4 (7.10 g, 92%>) as a white solid: IR (ATR, neat) 3400-2500 (br), 1691, 1629, 1577, 1260 cm"1; 1H NMR (DMSO- d6, 600 MHz) delta 7.49 (d, 1 H, J= 16.0 Hz), 7.46 (app d, 2 H, J= 7.4 Hz), 7.39 (t, 2 H, J= 7.6 Hz), 7.35-7.29 (m, 3 H), 7.22 (d, 1 H, J= 7.6 Hz), 7.03 (dd, 1 H, J= 8.2, 2.3 Hz), 6.56 (d, 1 H, J= 16.0 Hz), 5.14 (s, 2 H); 13C NMR (DMSO-d6, 150 MHz) delta 168.1, 158.7, 142.7, 137.0, 136.1, 130.0, 128.5, 128.0, 127.9, 121.2, 120.9, 116.8, 113.7, 69.3; HRMS (EI) m/z calcd for Ci6Hi403 254.0943, found 254.0950.
  • 2
  • [ 14755-02-3 ]
  • [ 122024-75-3 ]
  • 3
  • [ 14755-02-3 ]
  • [ 155697-42-0 ]
  • 4
  • [ 14755-02-3 ]
  • [ 1421-65-4 ]
  • methyl 3-(3,4-dihydroxyphenyl)-(2S)-2-((2E)-3-(3-hydroxyphenyl)acrylamido)propanoate [ No CAS ]
YieldReaction ConditionsOperation in experiment
41.6% General procedure: To a solution of the corresponding substitutedacid (1 eq, 2.02 mmol) in dichloromethane-N,N-dimethylformamide(DMF) (3 : 1, 20 mL) was added 1-ethyl-3-(3-dimethylaminopropyl) carbodiimide (EDC) (1 eq, 2.02 mmol),N,N-diisopropylethylamine (DIEA) (1 eq, 2.02 mmol) andN-hydroxybenzotriazole (HOBt) (1 eq, 2.02 mmol). After themixture was stirred at room temperature for 30 min, correspondingamine (1 eq, 2.02 mmol) and triethylammoniumacetate (TEA) (3 eq, 6.06 mmol) was added. The solution wasstirred at room temperature for 4 h and then extracted withdichloromethane. The organic layer was washed with 1 N HClsolution, saturated NaHCO3 solution, water and brine, driedover Na2SO4 and concentrated in vacuo. The crude product was purified by silica gel column chromatography (ethylacetate-hexane, 1 : 2) to obtain the title compound.
With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In acetonitrile; at 20℃; General procedure: As shown in Scheme 1, the synthetic route of the analogues (1-7) involved a two-step sequence viamethyl esterification of L-amino acidand amide condensation. 100 muL SOCl2was added in portions to 4 mL methanol at -10 C,then 1 mmol L-amino acid was addedand the mixture was warmed to room temperature and stirred overnight. After thesolvent was removed, 5 mL CH3CN, 500 muL DIPEA (N,N-Diisopropyl ethylamine), 1.1 mmolcorresponding substituted acid and 1.1 mmol HBTU (O-Benzotriazole-N,N,N',N'-tetramethyl-uronium-hexafluorophosphate)was added into the residue. The mixture was stirred for 1 h at room temperatureto finish condensation. The reaction solution was added 20 mL 1 M HCl, andextracted with ethyl acetate (4 × 20 mL). The combined organic phasewas dried over anhydrous Na2SO4 and finally evaporated invacuum. The residue was purified by silica-gel chromatography using mixtures ofPE/EtOAcas eluent to afford compounds 1-7.At this stage, all compounds were fully analyzed and characterized by nuclearmagnetic resonance (NMR), high resolution massspectrum (HRMS).
  • 5
  • [ 14755-02-3 ]
  • [ 7768-28-7 ]
  • C17H16O4 [ No CAS ]
Recommend Products
Same Skeleton Products

Technical Information

Historical Records
; ;