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. 3651-67-0 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 3651-67-0
Chemical Structure| 3651-67-0
Structure of 3651-67-0 * 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 [ 3651-67-0 ]

Related Doc. of [ 3651-67-0 ]

Alternatived Products of [ 3651-67-0 ]
Product Citations

Product Details of [ 3651-67-0 ]

CAS No. :3651-67-0 MDL No. :MFCD00039042
Formula : C5H12ClNO Boiling Point : No data available
Linear Structure Formula :- InChI Key :BTJRKNUKPQBLAL-UHFFFAOYSA-N
M.W : 137.61 Pubchem ID :3083815
Synonyms :

Calculated chemistry of [ 3651-67-0 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 8
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 38.9
TPSA : 12.47 ?2

Pharmacokinetics

GI absorption : Low
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) : -6.81 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 0.47
Log Po/w (WLOGP) : 0.37
Log Po/w (MLOGP) : 0.21
Log Po/w (SILICOS-IT) : 0.94
Consensus Log Po/w : 0.4

Druglikeness

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

Water Solubility

Log S (ESOL) : -0.99
Solubility : 14.1 mg/ml ; 0.103 mol/l
Class : Very soluble
Log S (Ali) : -0.3
Solubility : 68.8 mg/ml ; 0.5 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.38
Solubility : 57.9 mg/ml ; 0.421 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.35

Safety of [ 3651-67-0 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 3651-67-0 ]

* 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 [ 3651-67-0 ]

[ 3651-67-0 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 17612-91-8 ]
  • [ 27486-87-9 ]
  • [ 3651-67-0 ]
  • [ 311343-00-7 ]
YieldReaction ConditionsOperation in experiment
55% With 4-methyl-morpholine; isobutyl chloroformate; In ethyl acetate; at -15 - 20℃; for 3.5h; A solution comprising 290 mg (0.71 mmol) of <strong>[27486-87-9]N-acetyl-S-trityl-L-cysteine</strong> (7, Bachem) and 80 mul (0.72 mmol) of of N-methylmorpholine (NMM) in 5 ml of AcOEt is stirred at -15 C. and then 93 mul (0.71 mmol) of isobutyl chloroformate are added. After stirring for 15 min and while maintaining the starting temperature, 111.4 mg (0.71 mmol) of S-acetylcysteamine hydrochloride (prepared according to T. Wieland and E. Bokelman, Ann. Chem., 1952, 576, 20-34) and then 80 mul (0.72 mmol) of NMM are added. The reaction mixture is maintained at -15 C. for 15 min and then, after returning to room temperature, stirring is continued for 3 h. The NMM hydrochloride formed is filtered off and washed with 2×2.5 ml of AcOEt and the combined organic phases are evaporated to dryness under vacuum. The coupling product is subsequently isolated from the gum obtained by flash chromatography on a silica gel column (eluent: AcOEt/petroleum ether 30%). 198 mg (Yd=55%) of the expected compound are collected. Rf (AcOEt/petroleum ether, 9:1): 0.41. Cystallizes from an AcOEt/petroleum ether mixture in the form of a colorless powder: M.p.=111-113 C. [alpha]D20=+10.5 (c 0.8, CHCl3). [0155] 1H NMR (CDCl3) delta ppm: 1.90 (s, 3H, NCOCH3), 2.29 (s, 3H, SCOCH3), 2.48 (dd, J=5.7, 12.9 Hz, 1H, beta Ha cys), 2.82 (dd, J=6.4, 12.9 Hz, 1H, beta Hb cys), 2.92-3.01 (m, 2H, NCH2CH2S), 3.32-3.42 (m, 2H, NCH2CH2S), 4.07-4.20 (m, 1H, alpha H cys), 5.70 (d, J=7.6 Hz, 1H, NH cys), 6.34 (t, J=5.5 Hz, 1H, NHCH2), 7.19-7.35 and 7.40-7.47 (2 m, 15H, aromatic H). MS: (FAB+/NBA+K+) m/z 545 (M+K)+, 507 (M+H)+; (FAB-/NBA) m/z 505 (M-H)-. [TABLE-US-00001] Analysis: C28H30N2O3S2 (506) Calc. %: C 66.40 H 5.93 N 5.53 Found %: 66.17 6.00 5.81
  • 2
  • [ 6066-82-6 ]
  • [ 27486-87-9 ]
  • [ 3651-67-0 ]
  • [ 73609-53-7 ]
YieldReaction ConditionsOperation in experiment
With 4-methyl-morpholine; isobutyl chloroformate; In ethyl acetate; at -15℃; for 2.5h; A solution comprising 1.5 g (3.70 mmol) of 7 and 410 mul (3.73 mmol) of NMM in 30 ml of AcOEt is stirred at -15 C. and then 480 mul (3.70 mmol) of isobutyl chloroformate are added. After stirring for 15 min and while maintaining the starting temperature, 426 mg (3.70 mmol) of N-hydroxysuccinimide are added. The reaction mixture is maintained at -15 C. for 15 min and then, after returning to ambient temperature, stirring is continued for 2 h. The NMM hydrochloride formed is filtered off and washed with 2×5 ml of AcOEt. The organic phases comprising the O-N-succinimide active ester of 7 are combined and stirred at -15 C. 575 mg (3.70 mmol) of S-acetylcysteamine hydrochloride and 410 mul (3.73 mmol) of NMM are then successively added to the solution. The reaction mixture is maintained at -15 C. for 15 min and then, after returning to ambient temperature, stirring is continued for 12 h. The solution is subsequently diluted with 300 ml of AcOEt, washed (water, 30 ml; ice-cold saturated sodium bicarbonate, 30 ml; water, 30 ml; ice-cold 0.1N citric acid, 30 ml; water, 3×30 ml), dried over sodium sulfate, filtered and evaporated to dryness under vacuum. The residue obtained is subsequently purified as above to give, with a yield of 70% (1.31 g) and with entirely the same physicochemical criteria, the coupling product 8 described above.
Recommend Products
Same Skeleton Products
Historical Records
; ;