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. 71759-89-2 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 71759-89-2
Chemical Structure| 71759-89-2
Structure of 71759-89-2 * 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 [ 71759-89-2 ]

Related Doc. of [ 71759-89-2 ]

Alternatived Products of [ 71759-89-2 ]
Product Citations

Product Details of [ 71759-89-2 ]

CAS No. :71759-89-2 MDL No. :MFCD01632213
Formula : C3H3IN2 Boiling Point : -
Linear Structure Formula :- InChI Key :BHCMXJKPZOPRNN-UHFFFAOYSA-N
M.W : 193.97 Pubchem ID :606522
Synonyms :
Chemical Name :5-Iodo-1H-imidazole

Calculated chemistry of [ 71759-89-2 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 6
Num. arom. heavy atoms : 5
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 1.0
Num. H-bond donors : 1.0
Molar Refractivity : 31.3
TPSA : 28.68 ?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) : -7.11 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.85
Log Po/w (XLOGP3) : 0.52
Log Po/w (WLOGP) : 1.01
Log Po/w (MLOGP) : 0.21
Log Po/w (SILICOS-IT) : 2.24
Consensus Log Po/w : 0.97

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.99
Solubility : 2.0 mg/ml ; 0.0103 mol/l
Class : Very soluble
Log S (Ali) : -0.69
Solubility : 39.3 mg/ml ; 0.203 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.19
Solubility : 1.26 mg/ml ; 0.00649 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.63

Safety of [ 71759-89-2 ]

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

Application In Synthesis of [ 71759-89-2 ]

* 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 [ 71759-89-2 ]

[ 71759-89-2 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 71759-89-2 ]
  • [ 1692-25-7 ]
  • [ 51746-85-1 ]
YieldReaction ConditionsOperation in experiment
52% With tetrakis(triphenylphosphine) palladium(0); sodium carbonate; In water; N,N-dimethyl-formamide; at 110℃; for 2h;Microwave irradiation; Inert atmosphere; General procedure: Method B: In a20 mL microwave Biotage tube, a 1M Na2CO3 aqueous solution(5 mL) purged with argon were introduced into a mixture purged with argon of 4-iodo-1H-imidazole (1a) (0.194 g, 1.0 mmol), a boronicacid 2 (1.6 mmol) and Pd(PPh3)4 (0.80 g, 0.05 mmol) in DMF (15 mL). The mixture washeated under microwaveirradiation. When the reaction was complete, the mixture was cooled toroom temperature and concentrated under reduced pressure. The residue waspurified by flash chromatography on silica gel to provide compounds 3j and 3p-3u in yields ranging from 30 to 95%. Time and temperaturereactions were collected in Table 1.
  • 2
  • [ 71759-89-2 ]
  • [ 22237-13-4 ]
  • [ 53704-63-5 ]
YieldReaction ConditionsOperation in experiment
67% With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; N-benzyl-N,N,N-triethylammonium chloride; cesium fluoride; In water; toluene; at 120℃; for 1h;Microwave irradiation; Inert atmosphere; General procedure: Method A: In a20 mL microwave Biotage tube, a mixture of 4-iodo-1H-imidazole(1a) (0.194 g, 1.0 mmol), a boronic acid 2(2.0 mmol), CsF (0.456 g,3.0 mmol), PdCl2(dppf)(0.041 g, 0.05 mmol) and BnEt3NCl(0.011 g, 0.05 mmol) in toluene(7 mL) and water (7 mL)was purged with argon andheated under microwaveirradiation. When the reaction was complete, the mixture was cooled toroom temperature and concentrated under reduced pressure. The residue waspurified by flash chromatography on silica gel to provide compounds 3a-3i and 3k-3o in yields ranging from 40 to 91%. Time and temperaturereactions were collected in Table 1.
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Parent Nucleus of
[ 71759-89-2 ]

Imidazoles

Chemical Structure| 71759-88-1

[ 71759-88-1 ]

5-Iodo-1-methyl-1H-imidazole

Similarity: 0.89

Chemical Structure| 15813-09-9

[ 15813-09-9 ]

4,5-Diiodo-1H-imidazole

Similarity: 0.84

Chemical Structure| 73746-45-9

[ 73746-45-9 ]

5-Iodo-2-methyl-1H-imidazole

Similarity: 0.76

Chemical Structure| 37067-96-2

[ 37067-96-2 ]

4,5-Diiodo-1-methyl-1H-imidazole

Similarity: 0.76

Chemical Structure| 15813-07-7

[ 15813-07-7 ]

5-Iodo-4-methyl-1H-imidazole

Similarity: 0.74

; ;