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. 4238-71-5 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 4238-71-5
Chemical Structure| 4238-71-5
Structure of 4238-71-5 * 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 [ 4238-71-5 ]

Related Doc. of [ 4238-71-5 ]

Alternatived Products of [ 4238-71-5 ]
Product Citations

Product Details of [ 4238-71-5 ]

CAS No. :4238-71-5 MDL No. :MFCD00005296
Formula : C10H10N2 Boiling Point : No data available
Linear Structure Formula :C3H3N2CH2C6H5 InChI Key :KKKDZZRICRFGSD-UHFFFAOYSA-N
M.W : 158.20 Pubchem ID :77918
Synonyms :
Chemical Name :1-Benzyl-1H-imidazole

Calculated chemistry of [ 4238-71-5 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 11
Fraction Csp3 : 0.1
Num. rotatable bonds : 2
Num. H-bond acceptors : 1.0
Num. H-bond donors : 0.0
Molar Refractivity : 47.98
TPSA : 17.82 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.13 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.74
Log Po/w (XLOGP3) : 1.6
Log Po/w (WLOGP) : 1.93
Log Po/w (MLOGP) : 1.36
Log Po/w (SILICOS-IT) : 1.89
Consensus Log Po/w : 1.7

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.38
Solubility : 0.667 mg/ml ; 0.00422 mol/l
Class : Soluble
Log S (Ali) : -1.59
Solubility : 4.11 mg/ml ; 0.026 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -3.32
Solubility : 0.0761 mg/ml ; 0.000481 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.12

Safety of [ 4238-71-5 ]

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

Application In Synthesis of [ 4238-71-5 ]

* 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 [ 4238-71-5 ]

[ 4238-71-5 ] Synthesis Path-Downstream   1~4

  • 1
  • [ 4238-71-5 ]
  • [ 14172-90-8 ]
  • [ 680593-39-9 ]
  • 2
  • [ 101853-78-5 ]
  • [ 4238-71-5 ]
  • [ 106848-38-8 ]
YieldReaction ConditionsOperation in experiment
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium tetrahydroborate; N,N,N,N,-tetramethylethylenediamine; In tetrahydrofuran; at 25℃; for 2h;Inert atmosphere; General procedure: PdCl2(dppf), PdCl2(tbpf) and (A.caPhos)PdCl2. A mixture of the halogenated heterocycle (0.66 mmol) in anhydrous THF (13.2 mL) was degassed by bubbling argon for few minutes. Then, PdCl2(dppf) (27.0 mg, 0.033 mmol, 5.0 mol%), TMEDA (0.130 g, 1.12 mmol, 1.7 equiv) and finally NaBH4 (42.4 mg, 1.12 mmol, 1.7 equiv) were introduced in sequence. The mixture was stirred at room temperature under argon for the proper time and then worked up as described above.
  • 3
  • [ 106848-38-8 ]
  • [ 4238-71-5 ]
YieldReaction ConditionsOperation in experiment
65% With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium tetrahydroborate; N,N,N,N,-tetramethylethylenediamine; In tetrahydrofuran; at 25℃; for 41h;Inert atmosphere; General procedure: PdCl2(dppf), PdCl2(tbpf) and (A.caPhos)PdCl2. A mixture of the halogenated heterocycle (0.66 mmol) in anhydrous THF (13.2 mL) was degassed by bubbling argon for few minutes. Then, PdCl2(dppf) (27.0 mg, 0.033 mmol, 5.0 mol%), TMEDA (0.130 g, 1.12 mmol, 1.7 equiv) and finally NaBH4 (42.4 mg, 1.12 mmol, 1.7 equiv) were introduced in sequence. The mixture was stirred at room temperature under argon for the proper time and then worked up as described above.
  • 4
  • [ 4238-71-5 ]
  • [ 1194-21-4 ]
  • 3-(2-amino-6-oxo-1,6-dihydropyrimidin-4-yl)-1-benzyl-1H-imidazolium chloride [ No CAS ]
YieldReaction ConditionsOperation in experiment
26% In 1,2-dichloro-benzene; for 1.5h;Reflux; 4.5 3-(2-Amino-6-oxo-1,6-dihydropyrimidin-4-yl)-1-benzyl-1H-imidazolium chloride (10d) A solution of 146 mg (1.0 mmol) of <strong>[1194-21-4]2-amino-6-chloropyrimidin-4(3H)-one</strong> and 475 mg (3.0 mmol) of 1-benzyl-1H-imidazole in 15 mL of 1,2-dichlorobenzene was heated to reflux temperature over a period of 1.5 h. After cooling, a solid precipitated which was filtered off and thoroughly washed with ethyl acetate. Yield: 79 mg (26percent). Dec>135 °C. 1H NMR (400 MHz, DMSO-d6): delta=5.52 (s, 2H, CH2), 6.20 (s, 1H, 5-H), 7.15 (s, 2H, NH2), 7.39-7.45 (m, 3H, Ar-H), 7.48-7.51 (m, 2H, Ar-H), 7.99 (m, 1H, 5'-H), 8.32 (m, 1H, 4'-H), 9.93 (s, 1H, 2'-H), 11.35 (s, 1H, NH) ppm 13C NMR (100 MHz, DMSO-d6): delta=52.5, 89.5, 119.3, 123.5, 128.5, 128.9, 129.0, 134.3, 135.1, 153.0, 156.2, 162.9 ppm. IR (ATR) 3266, 3109, 2920, 2769, 1644, 1366, 1159, 970, 795 cm-1. MS (ESI-MS): m/z=268.1. HR-ESI-MS [C14H14N5O]: 268.1199, calcd 268.1198.
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 4238-71-5 ]

Aryls

Chemical Structure| 78430-91-8

[ 78430-91-8 ]

1-(4-Vinylbenzyl)-1H-imidazole

Similarity: 0.98

Chemical Structure| 56643-85-7

[ 56643-85-7 ]

4-Imidazol-1-ylmethylphenylamine

Similarity: 0.92

Chemical Structure| 179873-45-1

[ 179873-45-1 ]

N-Methyl-4-(1-imidazolyl)benzylamine

Similarity: 0.88

Chemical Structure| 886457-65-4

[ 886457-65-4 ]

(4-(1H-Imidazol-1-yl)phenyl)methanamine hydrochloride

Similarity: 0.85

Chemical Structure| 165894-09-7

[ 165894-09-7 ]

7-Benzyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine

Similarity: 0.82

Related Parent Nucleus of
[ 4238-71-5 ]

Imidazoles

Chemical Structure| 78430-91-8

[ 78430-91-8 ]

1-(4-Vinylbenzyl)-1H-imidazole

Similarity: 0.98

Chemical Structure| 56643-85-7

[ 56643-85-7 ]

4-Imidazol-1-ylmethylphenylamine

Similarity: 0.92

Chemical Structure| 179873-45-1

[ 179873-45-1 ]

N-Methyl-4-(1-imidazolyl)benzylamine

Similarity: 0.88

Chemical Structure| 886457-65-4

[ 886457-65-4 ]

(4-(1H-Imidazol-1-yl)phenyl)methanamine hydrochloride

Similarity: 0.85

Chemical Structure| 132430-59-2

[ 132430-59-2 ]

1-Benzyl-5-bromo-1H-imidazole

Similarity: 0.82

; ;