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. 10602-00-3 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 10602-00-3
Chemical Structure| 10602-00-3
Structure of 10602-00-3 * 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 [ 10602-00-3 ]

Related Doc. of [ 10602-00-3 ]

Alternatived Products of [ 10602-00-3 ]
Product Citations

Product Details of [ 10602-00-3 ]

CAS No. :10602-00-3 MDL No. :MFCD00168819
Formula : C9H6O2 Boiling Point : -
Linear Structure Formula :HCCC6H4C(O)OH InChI Key :SJXHLZCPDZPBPW-UHFFFAOYSA-N
M.W : 146.14 Pubchem ID :589706
Synonyms :

Calculated chemistry of [ 10602-00-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 41.34
TPSA : 37.3 ?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) : -5.66 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.63
Log Po/w (XLOGP3) : 2.15
Log Po/w (WLOGP) : 1.45
Log Po/w (MLOGP) : 2.16
Log Po/w (SILICOS-IT) : 1.84
Consensus Log Po/w : 1.85

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.44
Solubility : 0.533 mg/ml ; 0.00365 mol/l
Class : Soluble
Log S (Ali) : -2.57
Solubility : 0.397 mg/ml ; 0.00272 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.83
Solubility : 2.15 mg/ml ; 0.0147 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.48

Safety of [ 10602-00-3 ]

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

Application In Synthesis of [ 10602-00-3 ]

* 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 [ 10602-00-3 ]

[ 10602-00-3 ] Synthesis Path-Downstream   1~7

  • 1
  • [ 111291-97-5 ]
  • [ 10602-00-3 ]
  • 2
  • [ 619-58-9 ]
  • [ 10602-00-3 ]
  • [ 16819-43-5 ]
  • [ 116075-75-3 ]
  • 3
  • [ 925692-74-6 ]
  • [ 10602-00-3 ]
  • [ 124480-95-1 ]
  • 3-[4-(3,5-diethoxybenzoyloxy)phenyl]-5-(4-cyanophenyl)-isoxazole [ No CAS ]
  • 4
  • [ 16450-41-2 ]
  • [ 10602-00-3 ]
  • [ 111291-97-5 ]
  • [ 51766-21-3 ]
  • [ 116387-23-6 ]
YieldReaction ConditionsOperation in experiment
With triethylamine; In tetrahydrofuran; methanol; dichloromethane; EXAMPLE 7 Diethyl N-(4-ethynylbenzoyl)-L-glutamate To a solution of 0.55 g of 4-ethynylbenzoic acid (obtained from <strong>[111291-97-5]tert.-butyl 4-ethynylbenzoate</strong> in 84% yield by hydrolysis with trifluoroacetic acid) in 50 ml of anhydrous ether and 25 ml of anhydrous tetrahydrofuran is added 1.58 ml of triethylamine. This is followed by 1.00 g of phenyl N-phenylphosphoramidochloridate. After stirring the reaction mixture at room temperature under nitrogen for 0.5 hour, 0.90 g of diethyl L-glutamate is added in one portion. The mixture is allowed to stir for another 8 hrs. After a workup, the residue is subjected to column chromatography using a 1% methanol:methylene chloride mixture as the eluent. The major fraction isolated from the column contained 0.68 g (54%) of diethyl N-(ethynylbenzoyl)-L-glutamate as an oil which slowly solidified: NMR (CDCl3, 300 MHz) delta 1.25 (t, 3H, J=6.9 Hz), 1.33 (t, 3H, J=6.9 Hz), 2.11-2.60 (m, 4H), 3.23 (s, 1H), 4.09 (q, 2H, J=6.9 Hz), 4.27 (1, 2H, J=6.9 Hz), 4.80 (m, 1H), 7.12 (d, 1H, J=7.2 Hz), 7.59 (d, 2H, J=8.4 Hz), 7.81 (d, 2H, J=8.4 Hz); IR (KBr) 3330, 3280, 2990, 1735, 1640, 1520, 1380, 1200, 1105, 1020, 855, and 770 cm -1.
  • 5
  • [ 10602-00-3 ]
  • [ 4181-20-8 ]
  • [ 1558965-63-1 ]
YieldReaction ConditionsOperation in experiment
With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; In tetrahydrofuran; at 20℃; for 20h;Inert atmosphere; Following a literature procedure [10] with slight modification, amixture of 2 (167 mg, 0.268 mmol) and 1 [9] (33 mg, 0.22 mmol) inTHF (7 mL) was stirred under nitrogen atmosphere until a homogeneoussolution was obtained. After that bis(triphenylphosphine)palladium(II) dichloride (2 mg, 0.003 mmol) and copper(I) iodide(2 mg, 0.01 mmol) were added and the reaction mixturewas stirredunder nitrogen atmosphere at room temperature. After 20 h, thereaction mixturewas redissolved in CH2Cl2 andwashed withwater.The organic phase was combined and dried over anhydrous MgSO4.After the removal of solvent under reduced pressure, the crudeproduct was precipitated in MeOH/CH2Cl2 to obtain 3 as a brownsolid (69 mg, 48percent). 1H NMR (DMSO-d6) d 6.78e6.94 (m, 6H), 7.24e7.46 (m, 4 H), 7.56e7.74 (m, 6H); MALDI-TOF-MS m/z obsd 388.508[(M 2I)] calcd avg mass 641.238 (M C27H17I2NO2). Due tothe change in colour observed during storage, compound 3 wasdirectly used in the next step without further purification andcharacterization.
  • 6
  • [ 1000623-95-9 ]
  • [ 10602-00-3 ]
  • [ 205877-26-5 ]
  • C59H57N3O4S2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
15% A mixture of DPP-Br2 (100mg, 0.146mmoles), Ethynyl benzoic acid (20.3mg, 0.138mmoles) and N-(4-ethynylphenyl)-N-phenylbenzenamine (35.6mg, 0.138mmoles) in dry THF (15mL) and NEt3 (3mL) was degassed with dinitrogen for 20min, Then Pd2(dba)3 (80.10mg, 0.087mmol) and AsPh3 (178mg, 0.584mmole) were added to the mixture. The solution was refluxed for 12h under dinitrogen. The solvent was removed in vacuum. The residue was purified on a column chromatograph (silica gel) using CHCl3 /methanol=95/05as eluent to afford DPP1 Yield: 15.0%. 1H NMR (400MHz, CD2Cl2) delta 8.53-8.52 (d, J=7.2Hz, 2H), 7.24-7.23 (d, J=2.1Hz, 4H), 7.22 (t, J=2.3Hz, 4H), 7.20 (d, J=1.4Hz, 2H), 7.18 (d, J=4.0Hz 2H), 7.01 (d, J=2.0Hz, 4H), 7.00 (d, J=6.3, 4H), 3.84 (t, J=7.5Hz, 4H), 1.26-1.14 (m, 16H), 0.82-0.76 (m, 14H). MALDI-TOF MS Calcd. for936.2; Found 937.51. HRMS C59H57N3O4S2 calcd. for 936.03889 found 936.3823. Anal. Calcd. For C59H57N3O4S2% (936.23): C, 75.69; H, 6.14; N, 4.49. Found: C, 75.65; H, 6.13; N, 4.50.
  • 7
  • [ 1000623-95-9 ]
  • [ 10602-00-3 ]
  • C48H48N2O6S2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
65% A mixture of DPP-Br2 (100mg, 0.146mmol), Ethynyl benzoic acid (135mg, 0.96mmol), in dry THF (15mL) and NEt3 (3mL) was degassed with dinitrogen for 10min. Then Pd2(dba)3 (83mg, 0.09mmol) and AsPh3 (190mg, 0.60mmol) were added to the mixture. The solution was refluxed for 12h under dinitrogen. The solvent was removed in vacuum. The residue was purified on a column chromatograph (silica gel) using CHCl3/methanol=85/15 as eluent to afford DPP2 Yield: 65.0%. 1H NMR (500MHz, CDCl3+CD3OD) delta 8.64 (d, J=4.2Hz, 2H), delta 7.93-7.92 (d, J=8.4Hz, 4H), 7.86 (d, J=8.3Hz, 4H) 7.23 (d, J=4.2Hz, 2H), 3.95-3.90 (t, 4H), 1.41-1.18 (m, 16H), 0.93-0.79 (m, 14H). MALDI-TOF MS Calcd. for 813.0; Found 814.12. HRMS C48H48N2O6S2 calcd for 816.06766 found 813.06778. Anal. Calcd. For C48H48N2O6S2% (813.03): C, 70.09; H, 5.95; N, 3.45. Found: C, 70.11; H, 5.93; N, 3.42.
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 10602-00-3 ]

Aryls

Chemical Structure| 883106-26-1

[ 883106-26-1 ]

3,5-Diethynylbenzoic acid

Similarity: 1.00

Chemical Structure| 10601-99-7

[ 10601-99-7 ]

3-Ethynylbenzoic acid

Similarity: 1.00

Chemical Structure| 16819-43-5

[ 16819-43-5 ]

4,4'-(1,2-Ethynediyl)dibenzoic Acid

Similarity: 0.93

Chemical Structure| 3034-86-4

[ 3034-86-4 ]

Methyl 4-ethynylbenzoate

Similarity: 0.91

Chemical Structure| 33578-00-6

[ 33578-00-6 ]

2-Ethynylbenzoic acid

Similarity: 0.91

Alkynyls

Chemical Structure| 883106-26-1

[ 883106-26-1 ]

3,5-Diethynylbenzoic acid

Similarity: 1.00

Chemical Structure| 10601-99-7

[ 10601-99-7 ]

3-Ethynylbenzoic acid

Similarity: 1.00

Chemical Structure| 16819-43-5

[ 16819-43-5 ]

4,4'-(1,2-Ethynediyl)dibenzoic Acid

Similarity: 0.93

Chemical Structure| 3034-86-4

[ 3034-86-4 ]

Methyl 4-ethynylbenzoate

Similarity: 0.91

Chemical Structure| 33578-00-6

[ 33578-00-6 ]

2-Ethynylbenzoic acid

Similarity: 0.91

Carboxylic Acids

Chemical Structure| 883106-26-1

[ 883106-26-1 ]

3,5-Diethynylbenzoic acid

Similarity: 1.00

Chemical Structure| 10601-99-7

[ 10601-99-7 ]

3-Ethynylbenzoic acid

Similarity: 1.00

Chemical Structure| 16819-43-5

[ 16819-43-5 ]

4,4'-(1,2-Ethynediyl)dibenzoic Acid

Similarity: 0.93

Chemical Structure| 33578-00-6

[ 33578-00-6 ]

2-Ethynylbenzoic acid

Similarity: 0.91

Chemical Structure| 619-21-6

[ 619-21-6 ]

3-Formylbenzoic acid

Similarity: 0.82

; ;