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. 81-30-1 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 81-30-1
Chemical Structure| 81-30-1
Structure of 81-30-1 * 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 [ 81-30-1 ]

Related Doc. of [ 81-30-1 ]

Alternatived Products of [ 81-30-1 ]
Product Citations

Product Details of [ 81-30-1 ]

CAS No. :81-30-1 MDL No. :MFCD00006915
Formula : C14H4O6 Boiling Point : No data available
Linear Structure Formula :(C10H4)(OCOCO)2 InChI Key :YTVNOVQHSGMMOV-UHFFFAOYSA-N
M.W : 268.18 Pubchem ID :6678
Synonyms :
Chemical Name :1,4,5,8-Naphthalenetetracarboxylic dianhydride

Calculated chemistry of [ 81-30-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 20
Num. arom. heavy atoms : 10
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 6.0
Num. H-bond donors : 0.0
Molar Refractivity : 63.44
TPSA : 86.74 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.58 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.81
Log Po/w (XLOGP3) : 1.91
Log Po/w (WLOGP) : 1.46
Log Po/w (MLOGP) : 2.29
Log Po/w (SILICOS-IT) : 2.72
Consensus Log Po/w : 1.84

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -3.08
Solubility : 0.225 mg/ml ; 0.000839 mol/l
Class : Soluble
Log S (Ali) : -3.35
Solubility : 0.118 mg/ml ; 0.000442 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.21
Solubility : 0.0164 mg/ml ; 0.0000612 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.14

Safety of [ 81-30-1 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 81-30-1 ]

* 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 [ 81-30-1 ]

[ 81-30-1 ] Synthesis Path-Downstream   1~15

  • 1
  • [ 2799-07-7 ]
  • [ 81-30-1 ]
  • 2-(1,3,6,8-tetraoxo-1,3,6,8-tetrahydro-2-oxa-7-aza-pyren-7-yl)-3-tritylsulfanyl-propionic acid [ No CAS ]
  • 2
  • [ 2799-07-7 ]
  • [ 81-30-1 ]
  • [ 910138-52-2 ]
  • 3
  • [ 81-30-1 ]
  • [ 80058-84-0 ]
  • [ 949079-50-9 ]
  • 4
  • [ 5397-31-9 ]
  • [ 81-30-1 ]
  • [ 866142-25-8 ]
YieldReaction ConditionsOperation in experiment
In N,N-dimethyl-formamide; for 6.75h;Heating / reflux; 26.82 g of a naphthalene-1,4,5,8-tetracarboxylic dianhydride and 250 ml of dehydrated DMF were introduced into a reactor. The reactor was heated to reflux. 19.5 g of <strong>[5397-31-9]3-(2-ethylhexyloxy)propylamine</strong> dissolved in 50 ml of dehydrated DMF was added dropwise into the reactor over 45 minutes while stirring. After the dropwise addition was completed, the resultant was further heated to reflux for 6 hours. After cooling, the resulting mixture was concentrated under a reduced pressure. The residue was diluted with toluene and the insoluble portion was filtered off. The filtrate was purified by silica gel column chromatography to obtain the desired product of a light yellow naphthalene monoimide derivative (12-1). Yield: 28.6 g.
  • 5
  • [ 166737-85-5 ]
  • [ 2799-07-7 ]
  • [ 81-30-1 ]
  • [ 1283599-82-5 ]
  • 6
  • [ 166737-85-5 ]
  • [ 81-30-1 ]
  • [ 5680-79-5 ]
  • [ 1283599-84-7 ]
  • 7
  • H-L-Cys(Trt)-OMe*HCl [ No CAS ]
  • [ 2799-07-7 ]
  • [ 81-30-1 ]
  • [ 1283599-81-4 ]
  • 8
  • [ 14445-54-6 ]
  • [ 2799-07-7 ]
  • [ 81-30-1 ]
  • [ 1283599-80-3 ]
  • 9
  • [ 617-79-8 ]
  • [ 2799-07-7 ]
  • [ 81-30-1 ]
  • [ 1283599-73-4 ]
  • 10
  • [ 24250-84-8 ]
  • [ 2799-07-7 ]
  • [ 81-30-1 ]
  • [ 1283599-79-0 ]
  • 11
  • [ 2418-95-3 ]
  • [ 2799-07-7 ]
  • [ 81-30-1 ]
  • [ 1283599-83-6 ]
  • 12
  • [ 2799-07-7 ]
  • [ 81-30-1 ]
  • 2-(1,3,6,8-tetraoxo-1,3,6,8-tetrahydro-2-oxa-7-aza-pyren-7-yl)-3-tritylsulfanyl-propionic acid [ No CAS ]
  • C36H25NO8S [ No CAS ]
  • [ 1283599-45-0 ]
  • 13
  • [ 81-30-1 ]
  • [ 180683-64-1 ]
  • C36H44N4O8 [ No CAS ]
  • 14
  • [ 81-30-1 ]
  • [ 263162-13-6 ]
  • [ 396718-27-7 ]
YieldReaction ConditionsOperation in experiment
91% In toluene; for 15h;Reflux; 10 was synthesized according to the previous report [13],Naphthalene-1,4,5,8-tetracarboxylic dianhydride (4.2 g, 16 mmol) and5 (9.7 g, 40 mmol) were refluxed in toluene (250 mL) for 15 h. Afterevaporation of the solvent under reduced pressure, 300 mL of Milli-Qwater was added, and the resulting precipitate was collected by suctionfiltration and dried under vacuum. Product 10 was obtained as acoral-colored solid (10.3 g, 14 mmol, 91% yield). 1H NMR (500 MHz,CDCl3): δ = 1.42 (18H, s, t-Bu), 1.66 (4H, q, J = 6.4 Hz, CH2CH2CH2NH),1.92 (4H, q, J = 6.9 Hz, CH2CH2CH2N(CH3)), 2.23 (6H, s, CH2N(CH3)CH2), 2.42 (4H, t, J = 6.6 Hz, N(CH3)CH2CH2CH2NH), 2.49 (4H, t, J =6.8 Hz, NCH2CH2CH2N(CH3)), 3.20 (4H, q, J = 5.9 Hz, CH2NHCO), 4.26(4H, quin, J = 6.0 Hz, NCH2CH2CH2N(CH3)), 5.42 (2H, br, NHCO), and8.77 (4H, s, Ar-H) ppm (Fig. S17). HRMS (EI+) m/z [M]+ Calcd forC38H55N6O8 723.40814, found 723.40928.
  • 15
  • [ 81-30-1 ]
  • [ 263162-13-6 ]
  • C34H46N6O8 [ No CAS ]
YieldReaction ConditionsOperation in experiment
99% In toluene; for 4h;Reflux; Naphthalene-1,4,5,8-tetracarboxylic dianhydride (1.3 g, 5.0 mmol)and 5 (2.7 g, 12 mmol) were refluxed in toluene (200 mL) for 4 h. Afterevaporation of the solvent under reduced pressure, 300 mL of Milli-Qwater was added, and the resulting precipitate was collected by suctionfiltration and dried under vacuum. Product 6 was obtained as acoral-colored solid (3.3 g, 5.0 mmol, 99% yield). MALDI-TOF-MS (positivemode, α-CHCA) m/z = 668.66 (calculated value of C34H46N6O8 +H+ = 667.77) (Fig. S7); 1H NMR (500 MHz, CDCl3): δ = 1.39 (18H, s, t-Bu), 2.31 (6H, s, CH2N(CH3)CH2), 2.60 (4H, br, N(CH3)CH2CH2NHCO),2.74 (4H, t, J = 6.5 Hz, NCH2CH2N(CH3)), 3.19 (4H, d, J = 4.6 Hz, N(CH3)CH2CH2NHCO), 4.33 (4H, t, J = 6.5 Hz, NCH2CH2N(CH3)), 5.07(2H, br, NHCO), and 8.78 (4H, s, Ar-H) ppm (Fig. S8). Calculated forC34H46N6O8: C 61.25, H 6.96, N 12.60; found: C 61.01, H 6.82, N 12.60.HRMS (EI+) m/z [M]+ Calcd for C34H47N6O8 667.34554, found667.34589.
Recommend Products
Same Skeleton Products
Historical Records
; ;