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. 55112-42-0 ] {[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| 55112-42-0
Chemical Structure| 55112-42-0
Structure of 55112-42-0 * 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 [ 55112-42-0 ]

Related Doc. of [ 55112-42-0 ]

Alternatived Products of [ 55112-42-0 ]
Product Citations

Product Details of [ 55112-42-0 ]

CAS No. :55112-42-0 MDL No. :MFCD01074875
Formula : C6H12Cl2N2O Boiling Point : -
Linear Structure Formula :- InChI Key :WICNYNXYKZNNSN-UHFFFAOYSA-N
M.W : 199.08 Pubchem ID :3016934
Synonyms :

Calculated chemistry of [ 55112-42-0 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.83
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 54.81
TPSA : 23.55 ?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) : -6.52 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 1.4
Log Po/w (WLOGP) : 0.63
Log Po/w (MLOGP) : 0.69
Log Po/w (SILICOS-IT) : 0.4
Consensus Log Po/w : 0.62

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.89
Solubility : 2.56 mg/ml ; 0.0129 mol/l
Class : Very soluble
Log S (Ali) : -1.5
Solubility : 6.32 mg/ml ; 0.0317 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.6
Solubility : 49.5 mg/ml ; 0.249 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.81

Safety of [ 55112-42-0 ]

Signal Word:Danger Class:8
Precautionary Statements:P280-P305+P351+P338-P310 UN#:3261
Hazard Statements:H314 Packing Group:Ⅱ
GHS Pictogram:

Application In Synthesis of [ 55112-42-0 ]

* 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 [ 55112-42-0 ]

[ 55112-42-0 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 39539-66-7 ]
  • 2-(7-chloro-1,8-naphthyridin-2-yl)-5-fluoro-3-hydroxy-1-isoindolinone [ No CAS ]
  • [ 55112-42-0 ]
  • 2-(7-chloro-1,8-naphthyridin-2-yl)-5-fluoro-3-(4-methyl-piperazinyl)-carbonyloxy-1-isoindolinone [ No CAS ]
YieldReaction ConditionsOperation in experiment
With pyridine; triethylamine; In dichloromethane; water; EXAMPLE 28 Triethylamine (3.4 cc. equivalent to 2.44 g.), followed by pyridine (15 cc.) are added to a suspension of 2-(7-chloro-1,8-naphthyridin-2-yl)-5-fluoro-3-hydroxy-1-isoindolinone (2 g.) and 4-chlorocarbonyl-1-methyl-piperazine hydrochloride (3.6 g.) in methylene chloride (30 cc.). The suspension obtained is heated to the reflux temperature (55 C) for 1 hour and further 4-chlorocarbonyl-1-methylpiperazine (3.6 g.) and triethylamine (3.4 cc.) are then added. The mixture is further heated to the reflux temperature for 45 minutes. After cooling, methylene chloride (30 cc.) and water (60 cc.) are added. After phase separation, the aqueous layer is extracted with methylene chloride (60 cc.). The organic extracts are dried over anhydrous sodium sulphate. After filtration and concentration, the residue is triturated in water (30 cc.). The precipitate is filtered off and dried in air. The crude product is recrystallized from acetonitrile (64 cc.). The product is filtered off and then washed with isopropyl ether (60 cc.). This gives 2-(7-chloro-1,8-naphthyridin-2-yl)-5-fluoro-3-(4-methylpiperazinyl)-carbonyloxy-1-isoindolinone (0.8 g.) melting at 247-248 C. 2-(7-chloro-1,8-naphthyridin-2-yl)-5-fluoro-3-hydroxy-1-isoindolinone can be prepared in the following manner:
  • 2
  • [ 55112-42-0 ]
  • [ 39539-66-7 ]
YieldReaction ConditionsOperation in experiment
65.14% With sodium hydrogencarbonate; In dichloromethane; water; at 5 - 10℃; for 0.5h;pH 7.5 - 8; 250 g (1.25 M) N-methyl-piperazine carbonyl chloride hydrochloride was stirred in 1574 ml of dichloromethane while the temperature being maintained at 5 to 10 C. The mixture was then neutralized by slow addition of 1574 ml of saturated solution of sodium bicarbonate till pH of 7.5 to 8.0 was achieved. During addition, the temperature was maintained at 5 C. After complete addition of sodium bicarbonate, reaction mixture was stirred for 30 minutes and then transferred to a separator. Bottom layer of dichloromethane was separated and the aqueous layer extracted with 2×800 ml of dichloromethane. Dichloromethane layers were combined and washed with 1000 ml of water, dried over anhydrous sodium sulphate and evaporated under reduced pressure to get N-methyl piperazine carbonyl chloride base (III). Yield: 133 g, 65.14%.
65.14% With sodium hydrogencarbonate; In dichloromethane; water; at 5 - 10℃; for 0.5h;pH 7.5 - 8; Example: 1Conversion of N-methyl piperazine carbonyl chloride hydrochloride salt (II) to N- methyl piperazine carbonyl chloride base (III):250 g (1. 25 M) N-methyl-piperazine carbonyl chloride hydrochloride was stirred in 1574 ml of dichloromethane while the temperature being maintained at 5 to 1O0C. The mixture was then neutralized by slow addition of 1574 ml of saturated solution of sodium bicarbonate till pH of 7.5 to 8.0 was achieved. During addition, the temperature was maintained at 50C. After complete addition of sodium bicarbonate, reaction mixture was stirred for 30 minutes and then transferred to a separator. Bottom layer of dichloromethane was separated and the aqueous layer extracted with 2 x 800 ml of dichloromethane. Dichloromethane layers were combined and washed with 1000 ml of water, dried over anhydrous sodium sulphate and evaporated under reduced pressure to get N-methyl piperazine carbonyl chloride base (III). Yield: 133 g, 65.14 %.
Recommend Products
Same Skeleton Products

Technical Information

Historical Records
; ;