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. 161417-28-3 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 161417-28-3
Chemical Structure| 161417-28-3
Structure of 161417-28-3 * 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 [ 161417-28-3 ]

Related Doc. of [ 161417-28-3 ]

Alternatived Products of [ 161417-28-3 ]
Product Citations

Product Details of [ 161417-28-3 ]

CAS No. :161417-28-3 MDL No. :MFCD03093021
Formula : C5H4BrNO Boiling Point : -
Linear Structure Formula :- InChI Key :YCVSFCXUHPVAFH-UHFFFAOYSA-N
M.W : 174.00 Pubchem ID :2762429
Synonyms :

Calculated chemistry of [ 161417-28-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 8
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 33.96
TPSA : 33.12 ?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) : 1.44
Log Po/w (XLOGP3) : 1.19
Log Po/w (WLOGP) : 1.55
Log Po/w (MLOGP) : 0.58
Log Po/w (SILICOS-IT) : 1.64
Consensus Log Po/w : 1.28

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.22
Solubility : 1.04 mg/ml ; 0.00598 mol/l
Class : Soluble
Log S (Ali) : -1.48
Solubility : 5.74 mg/ml ; 0.033 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.3
Solubility : 0.876 mg/ml ; 0.00504 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.39

Safety of [ 161417-28-3 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 161417-28-3 ]

* 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 [ 161417-28-3 ]

[ 161417-28-3 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 161417-28-3 ]
  • [ 161511-85-9 ]
  • tert-butyl (2S)-2-[(4-bromopyridin-3-yl)oxy]methyl}azetidine-1-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
86.86% With triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran; at 0℃; for 1.66667h;Inert atmosphere; - py - - . g, 8.621 mmol, 1 equiv) in THF (50 mL) was added PPh3 (3.39 g, 12.93 mmol, 1.50 equiv) and tert-butyl (2S)-2- (hydroxymethyl)azetidine-1-carboxylate (1.78 g, 9.48 mmol, 1.10 equiv) at 0 C, the mixture was stirred for 10 min at 0 C under nitrogen atmosphere. DEAD (2.25 g, 12.93 mmol, 1.50 equiv) was added dropwise at 0 C. The mixture was stirred for 1.5 h at 0 C under nitrogen atmosphere. The resulting mixture was concentrated under reduced pressure. The residue was purified by reverse flash chromatography with the following conditions (column, C18 gel; mobile phase, MeCN in water, 10% to 60% gradient in 20 min; detector, UV 254 nm) to afford tert-butyl (2S)-2-[(4-bromopyridin-3- yl)oxy]methyl}azetidine-1-carboxylate (2.57 g, 86.86%) as a yellow oil. LC-MS: (M+H)+ found:344.95.
86.86% With triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran; at 0℃; for 1.66667h;Inert atmosphere; - py - - . g, 8.621 mmol, 1 equiv) in THF (50 mL) was added PPh3 (3.39 g, 12.93 mmol, 1.50 equiv) and tert-butyl (2S)-2- (hydroxymethyl)azetidine-1-carboxylate (1.78 g, 9.48 mmol, 1.10 equiv) at 0 C, the mixture was stirred for 10 min at 0 C under nitrogen atmosphere. DEAD (2.25 g, 12.93 mmol, 1.50 equiv) was added dropwise at 0 C. The mixture was stirred for 1.5 h at 0 C under nitrogen atmosphere. The resulting mixture was concentrated under reduced pressure. The residue was purified by reverse flash chromatography with the following conditions (column, C18 gel; mobile phase, MeCN in water, 10% to 60% gradient in 20 min; detector, UV 254 nm) to afford tert-butyl (2S)-2-[(4-bromopyridin-3- yl)oxy]methyl}azetidine-1-carboxylate (2.57 g, 86.86%) as a yellow oil. LC-MS: (M+H)+ found:344.95.
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 161417-28-3 ]

Bromides

Chemical Structure| 1209335-53-4

[ 1209335-53-4 ]

4-Bromo-3-methoxypyridine hydrochloride

Similarity: 0.90

Chemical Structure| 1033610-45-5

[ 1033610-45-5 ]

4-Bromo-3,5-dimethoxypyridine

Similarity: 0.77

Chemical Structure| 36953-41-0

[ 36953-41-0 ]

3-Bromo-4-pyridinol

Similarity: 0.74

Chemical Structure| 1421602-80-3

[ 1421602-80-3 ]

2,4-Dibromo-6-fluoropyridin-3-ol

Similarity: 0.71

Chemical Structure| 857429-79-9

[ 857429-79-9 ]

2,5-Dibromopyridin-3-ol

Similarity: 0.71

Alcohols

Chemical Structure| 36953-41-0

[ 36953-41-0 ]

3-Bromo-4-pyridinol

Similarity: 0.74

Chemical Structure| 109-00-2

[ 109-00-2 ]

Pyridin-3-ol

Similarity: 0.72

Chemical Structure| 1421602-80-3

[ 1421602-80-3 ]

2,4-Dibromo-6-fluoropyridin-3-ol

Similarity: 0.71

Chemical Structure| 857429-79-9

[ 857429-79-9 ]

2,5-Dibromopyridin-3-ol

Similarity: 0.71

Chemical Structure| 6602-32-0

[ 6602-32-0 ]

2-Bromo-3-hydroxypyridine

Similarity: 0.70

Related Parent Nucleus of
[ 161417-28-3 ]

Pyridines

Chemical Structure| 1209335-53-4

[ 1209335-53-4 ]

4-Bromo-3-methoxypyridine hydrochloride

Similarity: 0.90

Chemical Structure| 1033610-45-5

[ 1033610-45-5 ]

4-Bromo-3,5-dimethoxypyridine

Similarity: 0.77

Chemical Structure| 36953-41-0

[ 36953-41-0 ]

3-Bromo-4-pyridinol

Similarity: 0.74

Chemical Structure| 109-00-2

[ 109-00-2 ]

Pyridin-3-ol

Similarity: 0.72

Chemical Structure| 1421602-80-3

[ 1421602-80-3 ]

2,4-Dibromo-6-fluoropyridin-3-ol

Similarity: 0.71

; ;