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. 2065-75-0 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 2065-75-0
Chemical Structure| 2065-75-0
Structure of 2065-75-0 * 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 [ 2065-75-0 ]

Related Doc. of [ 2065-75-0 ]

Alternatived Products of [ 2065-75-0 ]
Product Citations

Product Details of [ 2065-75-0 ]

CAS No. :2065-75-0 MDL No. :MFCD00459999
Formula : C3H3BrO2 Boiling Point : No data available
Linear Structure Formula :- InChI Key :SURMYNZXHKLDFO-UHFFFAOYSA-N
M.W : 150.96 Pubchem ID :74945
Synonyms :
Chemical Name :2-Bromomalonaldehyde

Calculated chemistry of [ 2065-75-0 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 6
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.33
Num. rotatable bonds : 2
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 24.8
TPSA : 34.14 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.04 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.53
Log Po/w (XLOGP3) : 0.25
Log Po/w (WLOGP) : 0.15
Log Po/w (MLOGP) : -0.22
Log Po/w (SILICOS-IT) : 0.81
Consensus Log Po/w : 0.3

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -0.8
Solubility : 23.8 mg/ml ; 0.158 mol/l
Class : Very soluble
Log S (Ali) : -0.53
Solubility : 44.8 mg/ml ; 0.297 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.66
Solubility : 33.0 mg/ml ; 0.219 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 3.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.48

Safety of [ 2065-75-0 ]

Signal Word:Danger Class:
Precautionary Statements:P264-P270-P280-P301+P312-P305+P351+P338-P501 UN#:
Hazard Statements:H302-H318 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 2065-75-0 ]

* 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.

  • Upstream synthesis route of [ 2065-75-0 ]
  • Downstream synthetic route of [ 2065-75-0 ]

[ 2065-75-0 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 2065-75-0 ]
  • [ 536-90-3 ]
  • [ 959121-99-4 ]
YieldReaction ConditionsOperation in experiment
20%
Stage #1: at 20℃;
Stage #2: With acetic acid In ethanol at 100℃; for 240 h;
Stage #3: With ammonia In water		 For the synthesis of this starting compound, 1.80 g (12.3 mmol, 1.1 eq) of bromomalondialdehyde was first dissolved in 30 ml of ethanol, and 1.25 ml of m-anisidine was added.
This reaction mixture is stirred over night at RT and, after the addition of acetic acid (20 ml), at 100° C. for 10 days.
The solvent is subsequently removed in vacuum on a rotary evaporator, and the residual solid is partitioned between a water and an ethyl acetate phase.
The aqueous phase is made alkaline with an ammonia solution, and insoluble particles were filtered off.
The filtrate is extracted with ethyl acetate, and the organic phase is dried over MgSO4, filtered, and the solvent is removed in vacuum on a rotary evaporator.
The product was purified by column chromatography with a mixture of hexane/ethyl acetate 8/2 as the eluent in a yield of 20percent (700 mg).
C10H8BrNO; MW 237/239; 1H-NMR (CDCl3): δ 8.76 (d, J=2.2 Hz, 1H), 8.15 (d, J=2.2 Hz, 1H), 7.55 (d, J=9.1 Hz, 1H), 7.32 (d, J=2.5 Hz, 1H), 7.15 (dd, J=2.5 Hz, J=8.8 Hz, 1H), 3.88 (s, 3H, OMe); 13C-NMR (CDCl3): δ 159.9, 150.4, 147.1, 135.9, 126.9, 123.4, 119.9, 113.6, 106.3, 54.6; IR: 2961, 1620, 1581, 1491, 1462, 1417, 1261, 1027, 796 1/cm; MS (ESI): 238-240 (M+H)+
3.8%
Stage #1: at 30℃; for 24 h;
Stage #2: With hydrogenchloride In ethanol; water at 100℃; for 48 h; 		To a solution of bromo-malonaldehyde (10 g, 66.2 mmol) in absolute ethanol (100 mL) was added 3-methoxyaniline (7.3 g, 59.6 mmol). The mixture was heated to 30 °C and stirred at that temperature for 24 h. Cone. HCl (100 mL) was added, and the reaction mixture was heated at 100°C for two days. After the mixture was concentrated and the residue was partitioned between ethyl acetate (150 mL) and saturated sodium carbonate (50 mL). The organic phase was washed with brine, dried with anhydrous Na2S04 and concentrated to give a black oil, which was purified by column chromatography (PE/EA = 3/1) to give Intermediate 13 as a brown oil (500 mg, 3.8percent). MS (ESI): m/z 237.9 [M+l]+.
Reference： [1] Journal of Medicinal Chemistry, 2008, vol. 51, # 7, p. 2158 - 2169
[2] Patent: US2010/204234, 2010, A1, . Location in patent: Page/Page column 12
[3] Patent: WO2012/83165, 2012, A1, . Location in patent: Page/Page column 98
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 2065-75-0 ]

Aliphatic Chain Hydrocarbons

Chemical Structure| 26944-17-2

[ 26944-17-2 ]

2,2,3-Tribromopropanal

Similarity: 0.62

Chemical Structure| 600-05-5

[ 600-05-5 ]

2,3-Dibromopropionic acid

Similarity: 0.50

Chemical Structure| 16339-93-8

[ 16339-93-8 ]

1-Bromoheptan-2-one

Similarity: 0.50

Bromides

Chemical Structure| 26944-17-2

[ 26944-17-2 ]

2,2,3-Tribromopropanal

Similarity: 0.62

Chemical Structure| 600-05-5

[ 600-05-5 ]

2,3-Dibromopropionic acid

Similarity: 0.50

Chemical Structure| 16339-93-8

[ 16339-93-8 ]

1-Bromoheptan-2-one

Similarity: 0.50

Aldehydes

Chemical Structure| 26944-17-2

[ 26944-17-2 ]

2,2,3-Tribromopropanal

Similarity: 0.62

; ;