天堂网亚洲,天天操天天搞,91视频高清,菠萝蜜视频在线观看入口,美女视频性感美女视频,95丝袜美女视频国产,超高清美女视频图片

Home Cart 0 Sign in  

[ CAS No. 102-52-3 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
HazMat Fee +

There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
Chemical Structure| 102-52-3
Chemical Structure| 102-52-3
Structure of 102-52-3 * 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 [ 102-52-3 ]

Related Doc. of [ 102-52-3 ]

Alternatived Products of [ 102-52-3 ]
Product Citations

Product Details of [ 102-52-3 ]

CAS No. :102-52-3 MDL No. :MFCD00008488
Formula : C7H16O4 Boiling Point : No data available
Linear Structure Formula :(CH3O)2CHCH2CH(OCH3)2 InChI Key :XHTYQFMRBQUCPX-UHFFFAOYSA-N
M.W : 164.20 Pubchem ID :66019
Synonyms :

Calculated chemistry of [ 102-52-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 6
Num. H-bond acceptors : 4.0
Num. H-bond donors : 0.0
Molar Refractivity : 40.1
TPSA : 36.92 ?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) : -7.07 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.43
Log Po/w (XLOGP3) : 0.32
Log Po/w (WLOGP) : 0.61
Log Po/w (MLOGP) : 0.04
Log Po/w (SILICOS-IT) : 0.42
Consensus Log Po/w : 0.77

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -0.66
Solubility : 35.6 mg/ml ; 0.217 mol/l
Class : Very soluble
Log S (Ali) : -0.66
Solubility : 36.0 mg/ml ; 0.219 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.88
Solubility : 21.4 mg/ml ; 0.131 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.95

Safety of [ 102-52-3 ]

Signal Word:Danger Class:3
Precautionary Statements:P210-P403+P235 UN#:1993
Hazard Statements:H225 Packing Group:Ⅲ
GHS Pictogram:

Application In Synthesis of [ 102-52-3 ]

* 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 [ 102-52-3 ]

[ 102-52-3 ] Synthesis Path-Downstream   1~10

  • 1
  • [ 141-86-6 ]
  • [ 102-52-3 ]
  • [ 15992-83-3 ]
YieldReaction ConditionsOperation in experiment
72% With phosphoric acid; at 70 - 75℃; for 0.666667h; In the reaction flask with a stirrer was added 107 g of 2,6-diamino pyridine and 1070 ml phosphoric acid at room temperature was slowly added dropwise 241 g 1,1,3,3-tetramethoxypropane to the resulting solution, dropwise after an oil bath to heat up, control the internal temperature 70-75 C, for 40 minutes. Then the reaction mixture was poured into 5 liters of ice 5M aqueous sodium hydroxide solution, to ensure that pH> 10, the filter cake (200 ml × 2), and the filtrate was washed with methylene chloride and extracted with dichloromethane (300 ml × 2) the combined dichloromethane phases were washed with 100 g of anhydrous sodium sulfate, filtered, and concentrated to dryness, the resultant crude product was purified by column chromatography (packing agent is alumina, eluting with methylene chloride: methanol (v / v ) = 100: 1), to obtain 102 g of a red solid 1,8-naphthyridin-2-amine, yield 72%, HPLC purity 96%.
  • 2
  • [ 102-52-3 ]
  • [ 33906-30-8 ]
  • [ 55317-53-8 ]
  • 3
  • [ 102-52-3 ]
  • [ 68176-57-8 ]
  • [ 6018-89-9 ]
  • [ 96411-84-6 ]
  • 4
  • [ 16461-94-2 ]
  • [ 102-52-3 ]
  • [ 55405-67-9 ]
YieldReaction ConditionsOperation in experiment
39% With acetic acid; for 4h;Reflux; A. A solution of 3-amino-4-bromopyrazole (2.0 g, 12 mmol) and 1 ,1 ,3,3- tetramethoxypropane (4.1 mL, 25 mmol) in acetic acid (5 mL) was heated at reflux for 4 h. Water (2 mL) was added and the mixture heated at reflux for a further 0.5 h, allowed to cool to ambient temperature and concentrated in vacuo. The residue was triturated in methanol. The solid thus obtained was washed with cold methanol, ethyl acetate, and hexanes to provide 3-bromopyrazolo[1 ,5-a]pyrimidine as a brownish solid in 39% yield (0.953 g): 1H NMR (300 MHz, DMSO-d6) ￡9.13 (d, J = 6.5 Hz, 1 H), 8.61 (s, 1 H), 8.35 (s, 1 H), 7.19-7.02 (m, 1 H); MS (ES+) m/z 197.9 (M + 1), 199.9 (M + 1).
With hydrogenchloride; In ethanol; water; at 20 - 71℃; A solution of the amino-bromo-pyrazole obtained above, dissolved in EtOH (23OmL) was treated with cone. HCl (13.6mL) followed by tetra-methoxypropane (3 ImL) at rt. The resulting turbid solution was heated to 71C for 2h, during this time, the reaction mixture turned into a suspension and a solid started separating out. The reaction mixture was cooled to rt, the precipitated solid was collected by filtration, washed with EtOH (min vol.) and dried to obtain the desired compound. The crude compound (C) was used as such for the next step without further purification (26.8 g, 74.1%). (M + H): 198.0.
  • 5
  • [ 102-52-3 ]
  • [ 6825-71-4 ]
  • [ 1260169-02-5 ]
YieldReaction ConditionsOperation in experiment
58.1% With acetic acid; at 100℃; for 14.0h; To a solution of ethyl 3,5-diamino-lH-pyrazole-4-carboxylate (5.00 g, 29.38 mmol) in DMF (80 mL) were added 1 , 1 ,3,3-tetramethoxypropane (14.50 mL, 88.15 mmol) and AcOH (0.34 mL, 5.88 mmol). The reaction mixture was stirred at 100 C for 14 h, and then concentrated in vacuo. The residue was partitioned between DCM (50 mL) and water (50 mL). The organic phase was separated and the aqueous phase was extracted with DCM (100 mL x 3). The combined organic phases were washed with brine (100 mL), dried over anhydrous Na2S04, filtered and concentrated in vacuo. The residue was purified by a silica gel column chromatography (a solution of NH3in MeOH (7 M)/DCM (v/v) =1/100) to give the title compound as a pale yellow solid (3.52 g, 58.1%).MS (ESI, pos. ion) m/z: 207.1 [M+H]+; H NMR (400 MHz, CDC1 ): delta (ppm) 8.60 (dd, J= 4.40 Hz, 1.76 Hz, 1H), 8.46 (dd, J = 6.76 Hz, 1.76 Hz, 1H), 6.86 (dd, J = 6.72 Hz, 4.40 Hz, 1H), 4.50 (q, J = 7.08 Hz, 2H), 1.47 (t, J = 7.08 Hz, 3H).
58.1% With acetic acid; In N,N-dimethyl-formamide; at 100℃; for 14.0h; To a solution of ethyl 3,5-diamino-1 -hydro-pyrazole-4-carboxylate (5.00 g, 29.38 mmol)In N, N-dimethylformamide ((80 mL)1,1,3,3-tetramethoxypropane (14.50 mL, 88.15 mmol)And acetic acid (0.34 mL, 5.88 mmol).After the reaction mixture was stirred at 100 C for 14 hours,Concentrate under reduced pressure. The resulting residue was dispersed in a mixed system of dichloromethane (50 mL) and water (50 mL), the organic phase was separated and the aqueous phase was extracted with dichloromethane (100 mL x 3). The combined organic phases were washed with saturated brine (100 mL x 3), dried over anhydrous sodium sulfate, filtered and concentrated under reduced pressure. The residue was purified by silica gel column chromatography (NH3 in methanol (7M) / methylene chloride (v / v) = 1/100) to give the title compound as a pale yellow solid (3.52 g, 58.1%).
35.3% With triethylamine; In N,N-dimethyl-formamide; at 100℃; for 14.0h; ethyl 2-aminopyrazolo[l ,5-a]pyrimidine-3-carboxylateA mixture of ethyl 3,5-diamino-l H-pyrazole-4-carboxylate (1.0 g, 5.9 mmol), 1,1,3,3- tetramethoxypropane (2.9 mL, 18 mmol), triethylamine (2 mL, 10 mmol), and DMF (15 mL) was heated at 100 0C for 14 hrs, then a further 2 mL of 1,1,3,3-tetramethoxypropane was added. After adding the additional 1,1,3,3-tetramethoxypropane, a significant by-product was noted and heating was stopped immediately. The reaction was cooled to room temperature and the DMF was removed in vacuo. The residue was partitioned between DCM and water, then the organic layer was concentrated and the residue purified by silica chromatography, eluting with 95:5 DCM: 2M methanolic ammonia solution to afford 420 mg (35%) of ethyl 2-aminopyrazolo[l,5- a]pyrimidine-3-carboxylate. 1H NMR (500 MHz, CDCl3) delta 8.57 (dd, J = 4.3, 1.6, IH), 8.43 (dd, J = 6.7, 1.6, IH), 6.84 (dd, J = 6.7, 4.4, IH), 5.52 (s, 2H), 4.48 (q, J= 7.1, 2H), 1.45 (t, J= 7.1, 3H).
With acetic acid; at 25 - 95℃; Another exemplary study was carried out as follow: Compound J and AcOH (7.5 volumes) were charged to an appropriately sized jacketed reactor. Mixing was started and the jacket was set to maintain an internal temperature of 25 C . Tetramethoxypropane (1.01 equivalents) was charged to the reactor and the j acket was set to maintain an internal temperature of 95 C. Once at temperature, the reaction continued mixing for 1.5 hours and then an IPC sample was taken. The passing criteria for this IPC was 60 C to prevent premature precipitation. Once the target volume was reached the jacket was set to maintain an internal temperature of 50 C. A 4 M solution of NaOH was then charged to the reactor via cannula to neutralize the remaining AcOH. This typically required approximately 10 volumes of the base solution. The neutralization was monitored by pH probe. Solids began to precipitate during the course of the charge. Once neutralized, the slurry was cooled to 20 C and held at that temperature for 1 hour prior to isolation via Buchner funnel. The cake was washed twice with 2 volumes of water and once with 2 volumes of MeOH. The solids were then dried to constant weight in a vacuum oven to provide Compound H. This procedure had been performed on 110 g scale to produce a granular light brown solid.

  • 6
  • [ 102-52-3 ]
  • [ 658-27-5 ]
  • 1-(3-fluorophenyl)-1H-pyrazole [ No CAS ]
  • 7
  • [ 102-52-3 ]
  • [ 589-21-9 ]
  • [ 13788-92-6 ]
  • 8
  • [ 102-52-3 ]
  • [ 16732-66-4 ]
  • 1-(2-bromophenyl)pyrazole [ No CAS ]
  • 9
  • [ 102-52-3 ]
  • [ 6971-45-5 ]
  • [ 102908-37-2 ]
YieldReaction ConditionsOperation in experiment
179.4 mg In ethanol; for 2h;Reflux; 200 mg of <strong>[6971-45-5]2-methoxyphenylhydrazine hydrochloride</strong> was dissolved in 5 ml of ethanol and 189 mul of malonaldehyde bisdimethylacetal was added, followed by heating to reflux for 2 hours. To the reaction mixture was added 50 ml of water, followed by neutralizing with a saturated aqueous sodium carbonate solution and extracting with 60 ml of ethyl acetate. The organic layer was dried over anhydrous magnesium sulfate and subsequently the solvent was distilled off under reduced pressure to afford 179.4 mg of the title compound. 1H-NMR (CDCl3); delta (ppm) 3.87 (3H,s), 6.42 (1H, d, J=2.4Hz), 7.02-7.07 (2H, m), 7.27-7.32 (1H, m), 7.68-7.72 (2H, m), 8.01 (1H, d, J=2.4Hz). MS (FAB); m/z 175 (M+H)+
179.4 mg In ethanol; for 2h;Reflux; [0176] 200 mg of <strong>[6971-45-5]2-methoxyphenylhydrazine hydrochloride</strong> was dissolved in 5 ml of ethanol and 189 mul of malonaldehyde bisdimethylacetal was added, followed by heating to reflux for 2 hours. To the reaction mixture was added 50 ml of water, followed by neutralizing with a saturated aqueous sodium carbonate solution and extracting with 60 ml of ethyl acetate. The organic layer was dried over anhydrous magnesium sulfate and subsequently the solvent was distilled off under reduced pressure to afford 179.4 mg of the title compound. [0177] 1H-NMR (CDCl3); delta (ppm) 3.87 (3H, s), 6.42 (1H, d, J=2.4 Hz), 7.02-7.07 (2H, m), 7.27-7.32 (1H, m), 7.68-7.72 (2H, m), 8.01 (1H, d, J=2.4 Hz). [0178] MS (FAB); m/z 175 (M+H)+
  • 10
  • [ 141-86-6 ]
  • [ 102-52-3 ]
  • [ 15936-09-1 ]
  • [ 15992-83-3 ]
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 102-52-3 ]

Aliphatic Chain Hydrocarbons

Chemical Structure| 16777-87-0

[ 16777-87-0 ]

3,3-Diethoxy-1-propanol

Similarity: 0.89

Chemical Structure| 36255-44-4

[ 36255-44-4 ]

3-Bromo-1,1-dimethoxypropane

Similarity: 0.71

Chemical Structure| 7424-91-1

[ 7424-91-1 ]

Methyl 3,3-dimethoxypropanoate

Similarity: 0.67

Chemical Structure| 24332-20-5

[ 24332-20-5 ]

1,1,2-Trimethoxyethane

Similarity: 0.67

Chemical Structure| 6342-56-9

[ 6342-56-9 ]

1,1-Dimethoxypropan-2-one

Similarity: 0.65

Ethers

Chemical Structure| 16777-87-0

[ 16777-87-0 ]

3,3-Diethoxy-1-propanol

Similarity: 0.89

Chemical Structure| 36255-44-4

[ 36255-44-4 ]

3-Bromo-1,1-dimethoxypropane

Similarity: 0.71

Chemical Structure| 64001-06-5

[ 64001-06-5 ]

4-((Tetrahydrofuran-2-yl)oxy)butan-1-ol

Similarity: 0.71

Chemical Structure| 696-59-3

[ 696-59-3 ]

2,5-Dimethoxytetrahydrofuran

Similarity: 0.68

Chemical Structure| 24332-20-5

[ 24332-20-5 ]

1,1,2-Trimethoxyethane

Similarity: 0.67

; ;