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. 19493-44-8 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 19493-44-8
Chemical Structure| 19493-44-8
Structure of 19493-44-8 * 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 [ 19493-44-8 ]

Related Doc. of [ 19493-44-8 ]

Alternatived Products of [ 19493-44-8 ]
Product Citations

Product Details of [ 19493-44-8 ]

CAS No. :19493-44-8 MDL No. :MFCD00024134
Formula : C9H6ClN Boiling Point : -
Linear Structure Formula :- InChI Key :MSQCQINLJMEVNJ-UHFFFAOYSA-N
M.W : 163.60 Pubchem ID :140539
Synonyms :

Calculated chemistry of [ 19493-44-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 10
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 1.0
Num. H-bond donors : 0.0
Molar Refractivity : 46.75
TPSA : 12.89 ?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) : -5.02 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.98
Log Po/w (XLOGP3) : 3.21
Log Po/w (WLOGP) : 2.89
Log Po/w (MLOGP) : 2.42
Log Po/w (SILICOS-IT) : 3.13
Consensus Log Po/w : 2.73

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.55
Solubility : 0.0462 mg/ml ; 0.000282 mol/l
Class : Soluble
Log S (Ali) : -3.15
Solubility : 0.115 mg/ml ; 0.000703 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.31
Solubility : 0.00807 mg/ml ; 0.0000493 mol/l
Class : Moderately soluble

Medicinal Chemistry

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

Safety of [ 19493-44-8 ]

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 [ 19493-44-8 ]

* 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 [ 19493-44-8 ]

[ 19493-44-8 ] Synthesis Path-Downstream   1~9

  • 1
  • [ 19493-44-8 ]
  • [ 66728-98-1 ]
  • 2
  • [ 19493-44-8 ]
  • [ 1532-71-4 ]
  • 3
  • [ 19493-44-8 ]
  • [ 70931-33-8 ]
  • 1-{4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl}isoquinoline [ No CAS ]
  • 4
  • [ 19493-44-8 ]
  • [ 214360-70-0 ]
  • 1-(thiophen-3-yl)isoquinoline [ No CAS ]
  • 5
  • [ 19493-44-8 ]
  • [ 132622-69-6 ]
  • [ 630424-18-9 ]
YieldReaction ConditionsOperation in experiment
To a solution of (2S, 4R)Fmoc-4-amino-1-boc-pyrrolidine-2-carboxylic acid (400 mg, 0.884 mmol) in acetonitrile (15 mL), five drops of pyrrolidine was added. The reaction mixture was stirred at rt for 3hr. Then it was concentrated and put on high vacuum togive crude 4-amino-1-boc-pyrrolidine-2-carboxylic acid. In another round-bottomed flask, a solution ofPd2dba3 (40 mg, 5% mol) and racemic-BINAP (56 mg, 10% mol) was stirred under nitrogen in degassed toluene (8mL) at rt forlh. Then1-chloroisoquinoline (216 mg, 1.326 mmol) and sodium t-butoxide (340 mg,3.536 mmol) were added and the reaction mixture was stirred for 30 min. Then 4-amino-l-boc-pyrrolidine-2-carboxylic acid was added and the reaction mixture was heated under reflux for lh. Water was added to quench the reaction and the aqueous layer was separated and filtered through filter paper. It was then concentrated and purified by Prep. HPLC to give coupled product as TFA salt. (165 mg, 40% yield) 'H NMR(CD30D, 400 MHz)8 1.44 (m, 9H), 2.51-2. 74 (m, 2H), 3.64 (m,1H), 4.01 (m,1H), 4.49 (m,1H), 4.64 (m,1H), 7.30 (d, J=6.85 Hz,1H), 7.58 (d, J=6.85 Hz,1H), 7.79 (m,1H), 7.91-7. 99 (m, 2H), 8.56 (d, J=8. 56 Hz,1H). LC-MS (retention time: 1.707 min. ), MS m/z 358(MH+).
To a solution of (2S,4R) Fmoc-4-amino-1-boc-pyrrolidine-2-carboxylic acid (400 mg, 0.884 mmol) in acetonitrile (15 mL), five drops of pyrrolidine was added. The reaction mixture was stirred at rt for 3hr. Then it was concentrated and put on high vacuum to give crude 4-amino-1-boc-pyrrolidine-2-carboxylic acid. In another round-bottomed flask, a solution of Pd2dba3 (40 mg, 5% mol)and racemic-BINAP (56 mg, 10% mol) was stirred under nitrogen in degassed toluene (8 mL) at rt for 1 h. Then 1-chloroisoquinoline (216 mg, 1.326 mmol) and sodium t-butoxide (340 mg, 3.536 mmol) were added and the reaction mixture was stirred for 30 min. Then 4-amino-1-boc-pyrrolidine-2-carboxylic acid was added and the reaction mixture was heated under reflux for 1 h. Water was added to quench the reaction and the aqueous layer was separated and filtered through filter paper. It was then concentrated and purified by Prep. HPLC to give coupled product as TFA salt. (165 mg, 40% yield) 1H NMR (CD3OD, 400 MHz) δ 1.44 (m, 9H), 2.51-2.74 (m, 2H), 3.64 (m, 1H), 4.01 (m, 1H), 4.49 (m, 1H), 4.64 (m, 1H), 7.30 (d, J=6.85 Hz, 1H), 7.58 (d, J=6.85 Hz, 1H), 7.79(m, 1H), 7.91-7.99 (m, 2H), 8.56 (d, J=8.56 Hz, 1H). MS m/z 358 (MH+).
To a solution of (2S,4R) Fmoc-4-amino-1-boc-pyrrolidine-2-carboxylic acid (400 mg, 0.884 mmol) in acetonitrile (15 mL), five drops of pyrrolidine was added. The reaction mixture was stirred at rt for 3 hr. Then it was concentrated and put on high vacuum to give crude 4-amino-1-boc-pyrrolidine-2-carboxylic acid. In another round-bottomed flask, a solution of Pd2 dba3 (40 mg, 5% mol) and racemic-BINAP (56 mg, 10% mol) was stirred under nitrogen in degassed toluene (8 mL) at rt for 1 h. Then 1-chloroisoquinoline (216 mg, 1.326 mmol) and sodium t-butoxide (340 mg, 3.536 mmol) were added and the reaction mixture was stirred for 30 min. Then 4-amino-1-boc-pyrrolidine-2-carboxylic acid was added and the reaction mixture was heated under reflux for 1 h. Water was added to quench the reaction and the aqueous layer was separated and filtered through filter paper. It was then concentrated and purified by Prep. HPLC to give coupled product as TFA salt. (165 mg, 40% yield) 1H NMR (CD3OD, 400 MHz) δ 1.44 (m, 9H), 2.51-2.74 (m, 2H), 3.64 (m, 1H), 4.01 (m, 1H), 4.49 (m, 1H), 4.64 (m, 1H), 7.30 (d, J=6.85 Hz, 1H), 7.58 (d, J=6.85 Hz, 1H), 7.79 (m, 1H), 7.91-7.99 (m, 2H), 8.56 (d, J=8.56 Hz, 1H). MS m/z 358 (MH+).
With racemic-2,2'-bis(diphenylphosphino)-1,1'-binaphthyl; sodium t-butanolate;tris-(dibenzylideneacetone)dipalladium(0); In toluene; at 20℃; for 2.5h;Heating / reflux; To a solution of (2S,4R) Fmoc-4-amino-1-boc-pyrrolidine-2-carboxylic acid (400 mg, 0.884 mmol) in acetonitrile (15 mL), five drops of pyrrolidine was added. The reaction mixture was stirred at rt for 3 hr. Then it was concentrated and put on high vacuum to give crude 4-amino-1-boc-pyrrolidine-2-carboxylic acid. In another round-bottomed flask, a solution of Pd2 dba3 (40 mg, 5% mol) and racemic-BINAP (56 mg, 10% mol) was stirred under nitrogen in degassed toluene (8 mL) at rt for 1 h. Then 1-chloroisoquinoline (216 mg, 1.326 mmol) and sodium t-butoxide (340 mg, 3.536 mmol) were added and the reaction mixture was stirred for 30 min. Then 4-amino-1-boc-pyrrolidine-2-carboxylic acid was added and the reaction mixture was heated under reflux for 1 h. Water was added to quench the reaction and the aqueous layer was separated and filtered through filter paper. It was then concentrated and purified by Prep. HPLC to give coupled product as TFA salt. (165 mg, 40% yield) 1H NMR (CD3OD, 400 MHz) δ 1.44 (m, 9H), 2.51-2.74 (m, 2H), 3.64 (m, 1H), 4.01 (m, 1H), 4.49 (m, 1H), 4.64 (m, 1H), 7.30 (d, J=6.85 Hz, 1H), 7.58 (d, J=6.85 Hz, 1H), 7.79 (m, 1H), 7.91-7.99 (m, 2H), 8.56 (d, J=8.56 Hz, 1H). MS m/z 358 (MH+).

  • 6
  • [ 40318-15-8 ]
  • [ 19493-44-8 ]
  • 1-(isoquinol-1-yl)-3-methoxycarbonyl-4-methyl-1H-pyrrole [ No CAS ]
YieldReaction ConditionsOperation in experiment
0.208 g (6.5 [MMOL)] of sodium hydride, at 75% by weight in liquid petroleum jelly, is added at a temperature in the region of [20C] under an argon atmosphere to a solution of 0.903 g (6.5 [MMOL)] of [3-METHOXYCARBONYL-4-METHYL-1 H-PYRROLE] in 20 cm3 of [DIMETHYLFORMAMIDE.] After stirring at a temperature in the region [OF 40C] for 0.3 hour, 1. 07 g (6.5 [MMOL)] of 1-chloroisoquinoline and 10 cm3 of dimethylformamide are added. After stirring at a temperature in the region of [120C] for 4 hours, the reaction mixture is poured into 200 cm3 of salt water and then extracted with 100 cm3 of ethyl acetate. The organic phase is partially concentrated under reduced pressure. 100 cm3 of sa . t water are added to the residue, which is then extracted with 50 cm3 of ethyl acetate. The organic phase is dried over anhydrous magnesium sulphate, filtered and then concentrated to dryness under reduced pressure (2. 7 kPa) to give a solid which is purified by silica gel chromatography [eluent : cyclohexane/dichloromethane/ethyl acetate [(60/36/4] by volume)]. After concentrating the fractions under reduced pressure (2.7 kPa), 1.5 g of [1-(ISOQUINOL-1-YL)-3-METHOXYCARBONYL-4-METHYL-1 H-PYRROLE ARE] [OBTAINED. MASS SPECTRUM (EL) : M/E 266 (M+. ), M/E 235.]
  • 7
  • [ 19493-44-8 ]
  • [ 227960-12-5 ]
  • 3-methoxycarbonyl-1-(isoquinol-1-yl)-5-methyl-1H-indole [ No CAS ]
YieldReaction ConditionsOperation in experiment
1.65 g (11.9 [MMOL)] of potassium carbonate are added at [25C] under an argon atmosphere to 0.900 g (4.75 [MMOL)] of [3-METHOXYCARBONYi-5-METHYL-1 H-INDOLE] in 10 cm3 of dimethyl sulphoxide. After stirring at [25C] for 0.5 hour, 0.677 cm3 (4.75 [MMOL)] of 1-chloroisoquinoline is added. After stirring at [100C] for 48 hours, the reaction mixture is cooled and diluted with 100 cm3 of ethyl acetate and then washed with 3 times 50 cm3 of water and 25 cm3 of saturated aqueous sodium chloride solution. The organic phase is dried over anhydrous magnesium sulphate, filtered and concentrated to dryness under reduced pressure (2.7 kPa) to give 1.50 g of a residue which is purified by flash chromatography [eluent : cyclohexane/ethyl acetate (8/2 by volume)]. After concentrating the fractions to dryness under reduced pressure (2.7 kPa), [1. 4 G OF 3-METHOXYCARBONYL-1- (ISOQUINOL-1-YL)-5-METHYL-1 H-INDOLE] are obtained in the form of a white solid melting at [142C.]
  • 8
  • [ 870119-58-7 ]
  • [ 19493-44-8 ]
  • [ 1330750-08-7 ]
  • 9
  • [ 19493-44-8 ]
  • [ 59139-93-4 ]
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 19493-44-8 ]

Chlorides

Chemical Structure| 24188-80-5

[ 24188-80-5 ]

1-Chloro-7-methylisoquinoline

Similarity: 1.00

Chemical Structure| 24188-79-2

[ 24188-79-2 ]

1-Chloro-5-methylisoquinoline

Similarity: 0.96

Chemical Structure| 24188-78-1

[ 24188-78-1 ]

1-Chloro-4-methylisoquinoline

Similarity: 0.94

Chemical Structure| 72093-11-9

[ 72093-11-9 ]

2-Chloro-3,4-dimethylpyridine

Similarity: 0.90

Chemical Structure| 70810-24-1

[ 70810-24-1 ]

1,7-Dichloroisoquinoline

Similarity: 0.89

Related Parent Nucleus of
[ 19493-44-8 ]

Isoquinolines

Chemical Structure| 24188-80-5

[ 24188-80-5 ]

1-Chloro-7-methylisoquinoline

Similarity: 1.00

Chemical Structure| 24188-79-2

[ 24188-79-2 ]

1-Chloro-5-methylisoquinoline

Similarity: 0.96

Chemical Structure| 24188-78-1

[ 24188-78-1 ]

1-Chloro-4-methylisoquinoline

Similarity: 0.94

Chemical Structure| 70810-24-1

[ 70810-24-1 ]

1,7-Dichloroisoquinoline

Similarity: 0.89

Chemical Structure| 630421-73-7

[ 630421-73-7 ]

1,6-Dichloroisoquinoline

Similarity: 0.89

; ;