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. 4276-09-9 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 4276-09-9
Chemical Structure| 4276-09-9
Structure of 4276-09-9 * 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 [ 4276-09-9 ]

Related Doc. of [ 4276-09-9 ]

Alternatived Products of [ 4276-09-9 ]
Product Citations

Product Details of [ 4276-09-9 ]

CAS No. :4276-09-9 MDL No. :MFCD00064297
Formula : C5H13NO Boiling Point : No data available
Linear Structure Formula :H2NCH(CH(CH3)2)CH2OH InChI Key :NWYYWIJOWOLJNR-YFKPBYRVSA-N
M.W : 103.16 Pubchem ID :6950587
Synonyms :

Calculated chemistry of [ 4276-09-9 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 7
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 2
Num. H-bond acceptors : 2.0
Num. H-bond donors : 2.0
Molar Refractivity : 30.02
TPSA : 46.25 ?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) : -6.93 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.43
Log Po/w (XLOGP3) : 0.0
Log Po/w (WLOGP) : -0.04
Log Po/w (MLOGP) : 0.23
Log Po/w (SILICOS-IT) : -0.21
Consensus Log Po/w : 0.28

Druglikeness

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

Water Solubility

Log S (ESOL) : -0.35
Solubility : 46.3 mg/ml ; 0.449 mol/l
Class : Very soluble
Log S (Ali) : -0.52
Solubility : 31.0 mg/ml ; 0.3 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.15
Solubility : 73.4 mg/ml ; 0.711 mol/l
Class : Soluble

Medicinal Chemistry

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

Safety of [ 4276-09-9 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P403+P233-P405-P501 UN#:
Hazard Statements:H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 4276-09-9 ]

* 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 [ 4276-09-9 ]

[ 4276-09-9 ] Synthesis Path-Downstream   1~4

  • 1
  • [ 62254-74-4 ]
  • [ 4276-09-9 ]
  • C10H16N2O2 [ No CAS ]
  • 2
  • [ 4276-09-9 ]
  • [ 885267-36-7 ]
  • [ 1401163-28-7 ]
YieldReaction ConditionsOperation in experiment
Example 73A (2R)-2-[(6-bromo-3-fluoropyridin-2-yl)methyl]amino}-3-methylbutan-1-ol <strong>[885267-36-7]6-bromo-3-fluoropicolinaldehyde</strong> (4.0 g, 19.61 mmol) and (R)-2-amino-3-methylbutan-1-ol (2.281 mL, 20.59 mmol) were dissolved in methanol (100 mL) and stirred at ambient temperature for 1 hour and 15 minutes. Sodium borohydride (0.742 g, 19.61 mmol) was added and the mixture was stirred for another 1 hour and 30 minutes. The volume of the reaction mixture was reduced, and the mixture was quenched with 200 mL 1.0 N NaOH, and extracted with 200 mL dichloromethane (2*). The organic phase was extracted with 1.0 N HCl and partitioned. The aqueous phase was separated, neutralized with 3.0 N NaOH, extracted with EtOAc, organic phase separated and washed with brine. The organic phase was dried over Na2SO4, filtered, and concentrated to obtain the title compound as an orange solid. MS (ESI+) m/z 291.0 (M+H); 1H NMR (300 MHz, DMSO-d6) delta 7.69 (t, J=8.8, 1H), 7.60 (dd, J=8.6, 3.7, 1H), 4.42 (t, J=5.2, 1H), 3.92-3.75 (m, 2H), 3.43 (dt, J=10.7, 4.8, 1H), 2.34-2.24 (m, 1H), 2.08 (s, 1H), 1.87-1.71 (m, 1H), 0.83 (dd, J=8.5, 6.9, 6H).
  • 3
  • [ 4276-09-9 ]
  • [ 40359-32-8 ]
  • C18H29NO2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
470.1 mg A cooled (0C) suspension of 37a (1 .36 g, 8.434 mmol) and magnesium sulfate (5 g) in dichloromethane (40 ml.) was treated with D-valinol (870.0 mg, 8.434 mmol). After stirring at 0C to RT for 23 h, the mixture was filtered and the volatiles were removed in vacuo. The residue was dissolved in anhydrous dichloromethane (40 ml.) and was subsequently treated with triethylamine (1 .3 ml_, 9.277 mmol) and a solution of trimethylsilyl chloride (9.3 ml_, 9.277 mmol, 1 M in dichloromethane). After stirring at RT for 24 h, the volatiles were removed in vacuo and the residue was triturated with diethyl ether//'so-hexane (100 ml_, 1 :1 ). The white solid was filtered off and the filtrate was evaporated to dryness to provide the intermediate imine. In a cooled (-40C) 3-neck round-bottom flask, equipped with a nitrogen line and an addition funnel was introduced anhydrous diethyl ether (25 ml.) and a solution of /so-propyl lithium (29 ml_, 20.242 mmol, 0.7 M in pentane). To this mixture, a solution of the imine in anhydrous diethyl ether (25 ml.) was added dropwise over 15 min. After stirring at -40C for 2.5 h, the reaction was quenched with hydrochloric acid (2 M, 50 ml.) and the mixture was allowed to warm to RT. The acidic aqueous layer was basified with NaOH pellets at 0C and then extracted with diethyl ether (2 x). The organics were combined, dried over sodium sulfate, filtered and the volatiles were removed in vacuo. The residue was purified by silica gel chromatography using a 50 g Isolute cartridge eluted with a continuous gradient of /'so-hexanes/ethyl acetate 1 :0 to 1 :1 to afford the title compound (470.1 mg, 19% over 3 steps) as a colorless oil
  • 4
  • [ 4276-09-9 ]
  • [ 40359-32-8 ]
  • [ 1888-75-1 ]
  • C18H29NO2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
470.1 mg A cooled (0 C.) suspension of 37a (1.36 g, 8.434 mmol) and magnesium sulfate (5 g) in dichloromethane (40 mL) was treated with D-valinol (870.0 mg, 8.434 mmol). After stirring at 0 C. to RT for 23 h, the mixture was filtered and the volatiles were removed in vacuo. The residue was dissolved in anhydrous dichloromethane (40 mL) and was subsequently treated with triethylamine (1.3 mL, 9.277 mmol) and a solution of trimethylsilyl chloride (9.3 mL, 9.277 mmol, 1 M in dichloromethane). After stirring at RT for 24 h, the volatiles were removed in vacuo and the residue was triturated with diethyl ether/iso-hexane (100 mL, 1:1). The white solid was filtered off and the filtrate was evaporated to dryness to provide the intermediate imine. In a cooled (-40 C.) 3-neck round-bottom flask, equipped with a nitrogen line and an addition funnel was introduced anhydrous diethyl ether (25 mL) and a solution of iso-propyllithium (29 mL, 20.242 mmol, 0.7 M in pentane). To this mixture, a solution of the imine in anhydrous diethyl ether (25 mL) was added dropwise over 15 min. After stirring at -40 C. for 2.5 h, the reaction was quenched with hydrochloric acid (2 M, 50 mL) and the mixture was allowed to warm to RT. The acidic aqueous layer was basified with NaOH pellets at 0 C. and then extracted with diethyl ether (2×). The organics were combined, dried over sodium sulfate, filtered and the volatiles were removed in vacuo. The residue was purified by silica gel chromatography using a 50 g Isolute cartridge eluted with a continuous gradient of iso-hexanes/ ethyl acetate 1:0 to 1:1 to afford the title compound (470.1 mg, 19% over 3 steps) as a colorless oil.
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 4276-09-9 ]

Amino Acid Derivatives

Chemical Structure| 2026-48-4

[ 2026-48-4 ]

(S)-2-Amino-3-methylbutan-1-ol

Similarity: 1.00

Chemical Structure| 16369-05-4

[ 16369-05-4 ]

2-Amino-3-methylbutan-1-ol

Similarity: 1.00

Chemical Structure| 112245-13-3

[ 112245-13-3 ]

(S)-2-Amino-3,3-dimethylbutan-1-ol

Similarity: 0.95

Chemical Structure| 112245-09-7

[ 112245-09-7 ]

(R)-2-Amino-3,3-dimethylbutan-1-ol

Similarity: 0.95

Chemical Structure| 24629-25-2

[ 24629-25-2 ]

(2S,3S)-2-Amino-3-methylpentan-1-ol

Similarity: 0.90

; ;