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. 186550-13-0 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
HazMat Fee +

There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
Chemical Structure| 186550-13-0
Chemical Structure| 186550-13-0
Structure of 186550-13-0 * 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 [ 186550-13-0 ]

Related Doc. of [ 186550-13-0 ]

Alternatived Products of [ 186550-13-0 ]
Product Citations

Product Details of [ 186550-13-0 ]

CAS No. :186550-13-0 MDL No. :MFCD01861220
Formula : C9H18N2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :CMIBWIAICVBURI-UHFFFAOYSA-N
M.W : 186.25 Pubchem ID :2756370
Synonyms :

Calculated chemistry of [ 186550-13-0 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.89
Num. rotatable bonds : 3
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 54.49
TPSA : 55.56 ?2

Pharmacokinetics

GI absorption : High
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) : -7.17 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.32
Log Po/w (XLOGP3) : 0.37
Log Po/w (WLOGP) : 0.57
Log Po/w (MLOGP) : 0.56
Log Po/w (SILICOS-IT) : 0.04
Consensus Log Po/w : 0.77

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.03
Solubility : 17.4 mg/ml ; 0.0934 mol/l
Class : Very soluble
Log S (Ali) : -1.1
Solubility : 14.7 mg/ml ; 0.0791 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.64
Solubility : 43.0 mg/ml ; 0.231 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.6

Safety of [ 186550-13-0 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P264-P270-P280-P301+P310-P305+P351+P338-P310-P321-P330-P405-P501 UN#:2810
Hazard Statements:H301-H318 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 186550-13-0 ]

* 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 [ 186550-13-0 ]

[ 186550-13-0 ] Synthesis Path-Downstream   1~6

  • 1
  • [ 32202-61-2 ]
  • [ 186550-13-0 ]
  • [ 723308-49-4 ]
YieldReaction ConditionsOperation in experiment
(+-)-N-[7-(1-Butyryl-pyrrolidin-3-ylsulfamoyl)-indan-4-yl]-2-methyl-benzamide (H-71) The title compound was made following general procedure in Scheme 10, substituting <strong>[32202-61-2]indan-4-ylamine</strong> for 5,6,7,8-tetrahydro-naphthalen-1-yl amine and 3-amino-pyrrolidine-1-carboxylic acid tert-butyl ester for 4-amino-piperidine-1-carboxylic acid tert-butyl ester 1H NMR (300 MHz, CDCl3) delta 8.22 (m, 1H), 7.76 (dd, 1H), 7.49 (m, 2H), 7.39 (m, 1H), 7.28 (m, 2H), 5.32 (dd, 1H), 3.80 (m, 1H), 3.40 (m, 5H), 2.88 (t, 2H); 2.52 (s, 3H), 2.20 (m, 6H), 1.90 (m, H), 1.60 (m, 2H), 0.84 (t, 3H); LC/MS m/z 470 (M+H)+.
  • 2
  • [ 1044733-65-4 ]
  • [ 186550-13-0 ]
  • C21H24ClN5O2 [ No CAS ]
  • 3
  • [ 3621-82-7 ]
  • [ 186550-13-0 ]
  • [ 1163123-30-5 ]
YieldReaction ConditionsOperation in experiment
Step 1: (6-Chloro-benzooxazol-2-yl)-pyrrolidin-3-yl-amine; hydrochloride A mixture of 470 mg (2.5 mmol) <strong>[3621-82-7]2,6-dichloro-benzooxazole</strong> (commercially available), 511 mg (2.75 mmol) 3-amino-pyrrolidine-1-carboxylic acid tert-butyl ester (commercially available) and 328 mg (3.25 mmol) NEt3 in 8 mL DCM was stirred at room temperature over night. KHSO4 aq (1N) was added and the organic layer was evaporated under reduced pressure. The residue was taken up in 10 mL HCl in dioxane (4N) and concentrated under reduced pressure to yield the crude title compound which was used without further purification in the consecutive step. (MH+) 238.0.
  • 4
  • [ 42926-52-3 ]
  • [ 3245-44-1 ]
  • [ 186550-13-0 ]
  • [ 1414264-39-3 ]
  • 5
  • [ 141179-72-8 ]
  • [ 186550-13-0 ]
  • tert-butyl 3-(4-fluoro-2-(trifluoromethyl)benzamido)pyrrolidine-1-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
64% With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In tetrahydrofuran; at 20℃; for 16h;Inert atmosphere; Cooling with ice; General procedure: 4-Fluoro-2-(trifluoromethyl)benzoic acid (1 equiv), amine (1 equiv) and DMAP (0.1 equiv) were added to THF (50mL) under nitrogen. The obtained solution was cooled down on an ice-water bath. EDC·HCl (1.3 equiv) was added to the solution, and the reaction mixture was stirred for 16h while warming at room temperature. The reaction solution was washed with water and extracted with EtOAc, dried over magnesium sulfate, filtered, and concentrated in vacuo. The residue was purified by silica gel column chromatography (hexane:ethyl acetate=1:1) to yield pure product.
  • 6
  • [ 84946-20-3 ]
  • [ 186550-13-0 ]
  • 1-(4-fluorobenzyl)-N-(pyrrolidin-3-yl)-1H-benzo[d]imidazol-2-amine [ No CAS ]
YieldReaction ConditionsOperation in experiment
54% In 1-methyl-pyrrolidin-2-one; at 180℃; for 1h;Microwave irradiation; A mixture of 14 <strong>[84946-20-3]2-chloro-1-(4-fluorobenzyl)-1H-benzo[d]imidazole</strong> (2) (261mg, 1mmol) and 133 tert-butyl 3-aminopyrrolidine-1-carboxylate (370μL, 2mmol) in NMP (2mL) was heated at 180C under microwave for 60min. After cooling down to room temperature, the mixture was treated with a saturated 134 NaHCO3 solution and extracted with EtOAc. The combined organic phases was washed with water (2 times), dried over Na2SO4, and evaporated in vacuo. The crude residue was purified by silica gel flash column chromatography to afford the 135 title compound 18 (168mg, 54%). 1H NMR (300MHz, CDCl3) δ=7.53 (d, J=7.8Hz, 1H), 7.18-7.05 (m, 3H), 7.05-6.91 (m, 4H), 5.20 (s, 2H), 3.77-3.60 (m, 3H), 3.54 (ddd, J=9.7, 7.9, 6.2Hz, 1H), 3.26 (dd, J=9.4, 4.1Hz, 1H), 2.25 (br s, 2H), 2.18-2.06 (m, 1H), 1.79-1.65 (m, 1H)ppm. 13C NMR (75MHz, CDCl3) δ=162.11 (d, J=246.1Hz), 156.76, 142.16, 135.93, 132.52 (d, J=3.1Hz), 127.43 (d, J=8.0Hz), 121.98, 120.25, 116.76, 115.87 (d, J=21.6Hz), 108.28, 58.73, 51.21, 48.95, 47.08, 34.70ppm. HRMS m/z [M+H]+ calcd for C18H20FN4: 311.1666, found: 311.1662.
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 186550-13-0 ]

Amides

Chemical Structure| 147081-44-5

[ 147081-44-5 ]

(S)-1-Boc-3-Aminopyrrolidine

Similarity: 1.00

Chemical Structure| 147081-49-0

[ 147081-49-0 ]

(R)-tert-Butyl 3-aminopyrrolidine-1-carboxylate

Similarity: 1.00

Chemical Structure| 392338-15-7

[ 392338-15-7 ]

(R)-tert-Butyl methyl(pyrrolidin-3-yl)carbamate

Similarity: 0.98

Chemical Structure| 1004538-34-4

[ 1004538-34-4 ]

(R)-tert-Butyl 3-aminopyrrolidine-1-carboxylate hydrochloride

Similarity: 0.98

Chemical Structure| 454712-26-6

[ 454712-26-6 ]

tert-Butyl 3-(methylamino)pyrrolidine-1-carboxylate

Similarity: 0.98

Amines

Chemical Structure| 147081-44-5

[ 147081-44-5 ]

(S)-1-Boc-3-Aminopyrrolidine

Similarity: 1.00

Chemical Structure| 147081-49-0

[ 147081-49-0 ]

(R)-tert-Butyl 3-aminopyrrolidine-1-carboxylate

Similarity: 1.00

Chemical Structure| 392338-15-7

[ 392338-15-7 ]

(R)-tert-Butyl methyl(pyrrolidin-3-yl)carbamate

Similarity: 0.98

Chemical Structure| 1004538-34-4

[ 1004538-34-4 ]

(R)-tert-Butyl 3-aminopyrrolidine-1-carboxylate hydrochloride

Similarity: 0.98

Chemical Structure| 454712-26-6

[ 454712-26-6 ]

tert-Butyl 3-(methylamino)pyrrolidine-1-carboxylate

Similarity: 0.98

Related Parent Nucleus of
[ 186550-13-0 ]

Aliphatic Heterocycles

Chemical Structure| 147081-44-5

[ 147081-44-5 ]

(S)-1-Boc-3-Aminopyrrolidine

Similarity: 1.00

Chemical Structure| 147081-49-0

[ 147081-49-0 ]

(R)-tert-Butyl 3-aminopyrrolidine-1-carboxylate

Similarity: 1.00

Chemical Structure| 392338-15-7

[ 392338-15-7 ]

(R)-tert-Butyl methyl(pyrrolidin-3-yl)carbamate

Similarity: 0.98

Chemical Structure| 1004538-34-4

[ 1004538-34-4 ]

(R)-tert-Butyl 3-aminopyrrolidine-1-carboxylate hydrochloride

Similarity: 0.98

Chemical Structure| 454712-26-6

[ 454712-26-6 ]

tert-Butyl 3-(methylamino)pyrrolidine-1-carboxylate

Similarity: 0.98

Pyrrolidines

Chemical Structure| 147081-44-5

[ 147081-44-5 ]

(S)-1-Boc-3-Aminopyrrolidine

Similarity: 1.00

Chemical Structure| 147081-49-0

[ 147081-49-0 ]

(R)-tert-Butyl 3-aminopyrrolidine-1-carboxylate

Similarity: 1.00

Chemical Structure| 392338-15-7

[ 392338-15-7 ]

(R)-tert-Butyl methyl(pyrrolidin-3-yl)carbamate

Similarity: 0.98

Chemical Structure| 1004538-34-4

[ 1004538-34-4 ]

(R)-tert-Butyl 3-aminopyrrolidine-1-carboxylate hydrochloride

Similarity: 0.98

Chemical Structure| 454712-26-6

[ 454712-26-6 ]

tert-Butyl 3-(methylamino)pyrrolidine-1-carboxylate

Similarity: 0.98

; ;