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. 165807-05-6 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 165807-05-6
Chemical Structure| 165807-05-6
Structure of 165807-05-6 * 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 [ 165807-05-6 ]

Related Doc. of [ 165807-05-6 ]

Alternatived Products of [ 165807-05-6 ]
Product Citations

Product Details of [ 165807-05-6 ]

CAS No. :165807-05-6 MDL No. :MFCD05864792
Formula : C7H11N3O2 Boiling Point : -
Linear Structure Formula :- InChI Key :OQINWXZQCAIVNK-UHFFFAOYSA-N
M.W : 169.18 Pubchem ID :4913032
Synonyms :

Calculated chemistry of [ 165807-05-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.43
Num. rotatable bonds : 3
Num. H-bond acceptors : 4.0
Num. H-bond donors : 1.0
Molar Refractivity : 43.19
TPSA : 70.26 ?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) : -7.67 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.65
Log Po/w (XLOGP3) : -0.47
Log Po/w (WLOGP) : 0.03
Log Po/w (MLOGP) : -0.59
Log Po/w (SILICOS-IT) : 0.14
Consensus Log Po/w : 0.15

Druglikeness

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

Water Solubility

Log S (ESOL) : -0.76
Solubility : 29.1 mg/ml ; 0.172 mol/l
Class : Very soluble
Log S (Ali) : -0.54
Solubility : 48.9 mg/ml ; 0.289 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.59
Solubility : 4.34 mg/ml ; 0.0256 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.06

Safety of [ 165807-05-6 ]

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

Application In Synthesis of [ 165807-05-6 ]

* 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 [ 165807-05-6 ]

[ 165807-05-6 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 165807-05-6 ]
  • [ 1220627-33-7 ]
  • [ 2164-67-2 ]
YieldReaction ConditionsOperation in experiment
7% With hydrogenchloride; sodium tetrahydroborate; NaOH; In tetrahydrofuran; methanol; water; 4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran; Intermediate P: 1-(4-((2-Aminopyrimidin-4-yl)methoxy)naphthalen-1-yl)-3-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)ureaHydrochloric acid (2M, 207 mL, 414 mmol) was added to 4-(dimethoxymethyl)pyrimidin-2-amine (68) (WO 2007/096764) (14.0 g, 83 mmol) and the mixture heated at 48° C. for 16 hr.The mixture was cooled to RT and was neutralized with solid Na2CO3 which produced a precipitate at pH 7.The suspension was diluted with EtOAc (300 mL) and the solid removed by filtration.The organic layer was separated and the aqueous layer was extracted with 1percent MeOH in THF (4*300 mL).The organics were combined, dried and then evaporated in vacuo.The residue (ca. 4.0 g) was suspended in a mixture of MeOH (100 mL), THF (100 mL) and water (100 mL) and treated with NaBH4 (1.57 g, 41.4 mmol).After stirring for 1 hr a solution of NaOH (1M, 20 mL) was added and the mixture was allowed to stand at RT for 48 hr.The solvents were evaporated to give a yellow solid which was partitioned between water (50 mL) and EtOAc (100 mL).The solid which formed at the interface was removed by filtration and the aq layer was extracted with THF (3*300 mL) then dried and evaporated to give a yellow solid.The material was suspended in THF (100 mL) and MeOH (50 mL) and absorbed onto silica gel (20 g) and subjected to column chromatography (80 g, 15percent MeOH in DCM isocratic elution) to give (2-aminopyrimidin-4-yl)methanol (69) as an off-white solid (720 mg, 7percent): m/z 126 (M+H)+ (ES+).
  • 2
  • [ 165807-05-6 ]
  • [ 2164-67-2 ]
YieldReaction ConditionsOperation in experiment
7% Hydrochloric acid (2M, 207 mL, 414 mmol) was added to 4-(dimethoxymethyl)pyrimidin-2-amine (68) (WO 2007/096764) (14.0 g, 83 mmol) and the mixture heated at 48° C. for 16 hr. The mixture was cooled to RT and was neutralized with solid Na2CO3 which produced a precipitate at pH 7. The suspension was diluted with EtOAc (300 mL) and the solid removed by filtration. The organic layer was separated and the aqueous layer was extracted with 1percent MeOH in THF (4×300 mL). The organics were combined, dried and then evaporated in vacuo. The residue (ca. 4.0 g) was suspended in a mixture of MeOH (100 mL), THF (100 mL) and water (100 mL) and treated with NaBH4 (1.57 g, 41.4 mmol). After stirring for 1 hr a solution of NaOH (1M, 20 mL) was added and the mixture was allowed to stand at RT for 48 hr. The solvents were evaporated to give a yellow solid which was partitioned between water (50 mL) and EtOAc (100 mL). The solid which formed at the interface was removed by filtration and the aq layer was extracted with THF (3×300 mL) then dried and evaporated to give a yellow solid. The material was suspended in THF (100 mL) and MeOH (50 mL) and absorbed onto silica gel (20 g) and subjected to column chromatography (80 g, 15percent MeOH in DCM isocratic elution) to give (2-aminopyrimidin-4-yl)methanol (69) as an off-white solid (720 mg, 7percent): m/z 126 (M+H)+ (ES+).
  • 3
  • [ 165807-05-6 ]
  • [ 74-88-4 ]
  • [ 180869-38-9 ]
YieldReaction ConditionsOperation in experiment
67% In acetone; at 70℃;Inert atmosphere; Compounds 4-(dimethoxymethyl)pyrimidin-2-amine 68 8b (1.00 g, 5.65 mmol), 70 iodomethane (2.80 g, 19.77 mmol) and 71 acetone (30 mL) were mixed. This mixture were stirred for 16 h at 70 C., cooled to room temperature, and filtered. The solid was mixed with 10% 67 sodium hydroxide (8 mL), stirred for 0.5 h at 80 C., and cooled to room temperature. This mixture was quenched with 250 mL of 72 ice water, extracted with dichloromethane (50 mL×2), and the organic phase was washed with saturated brine (50 mL×2). The organic phase was dried over anhydrous sodium sulfate, filtered to remove the drying agent, and subjected to exsolution under reduced pressure, to obtain the target 73 product 8c 4-(dimethoxymethyl)-N-methylpyrimidin-2-amine 8c (0.70 g, yellow oil), at a yield of 67%. (0175) MS m/z (ESI): 184 [M+1] (0176) 1H NMR (400 MHz, CDCl3) delta 8.37 (d, J=4.8 Hz, 1H), 6.77 (d, J=5.2 Hz, 1H), 5.18 (brs, 1H), 5.13 (s, 1H), 3.42 (s, 6H), 3.03 (d, J=5.2 Hz, 3H).
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 165807-05-6 ]

Ethers

Chemical Structure| 180869-38-9

[ 180869-38-9 ]

4-(Dimethoxymethyl)-N-methylpyrimidin-2-amine

Similarity: 0.92

Chemical Structure| 25746-87-6

[ 25746-87-6 ]

4-Dimethoxymethylpyrimidine

Similarity: 0.89

Chemical Structure| 914347-52-7

[ 914347-52-7 ]

5-Bromo-4-(dimethoxymethyl)pyrimidin-2-amine

Similarity: 0.81

Chemical Structure| 175277-33-5

[ 175277-33-5 ]

4-(Dimethoxymethyl)-2-methylpyrimidine

Similarity: 0.79

Chemical Structure| 193746-84-8

[ 193746-84-8 ]

4-(Dimethoxymethyl)-2-methoxypyrimidine

Similarity: 0.75

Amines

Chemical Structure| 180869-38-9

[ 180869-38-9 ]

4-(Dimethoxymethyl)-N-methylpyrimidin-2-amine

Similarity: 0.92

Chemical Structure| 914347-52-7

[ 914347-52-7 ]

5-Bromo-4-(dimethoxymethyl)pyrimidin-2-amine

Similarity: 0.81

Chemical Structure| 2164-67-2

[ 2164-67-2 ]

(2-Aminopyrimidin-4-yl)methanol

Similarity: 0.80

Chemical Structure| 2164-66-1

[ 2164-66-1 ]

Methyl 2-aminopyrimidine-4-carboxylate

Similarity: 0.74

Chemical Structure| 2164-65-0

[ 2164-65-0 ]

2-Aminopyrimidine-4-carboxylic acid

Similarity: 0.70

Related Parent Nucleus of
[ 165807-05-6 ]

Pyrimidines

Chemical Structure| 180869-38-9

[ 180869-38-9 ]

4-(Dimethoxymethyl)-N-methylpyrimidin-2-amine

Similarity: 0.92

Chemical Structure| 25746-87-6

[ 25746-87-6 ]

4-Dimethoxymethylpyrimidine

Similarity: 0.89

Chemical Structure| 914347-52-7

[ 914347-52-7 ]

5-Bromo-4-(dimethoxymethyl)pyrimidin-2-amine

Similarity: 0.81

Chemical Structure| 2164-67-2

[ 2164-67-2 ]

(2-Aminopyrimidin-4-yl)methanol

Similarity: 0.80

Chemical Structure| 175277-33-5

[ 175277-33-5 ]

4-(Dimethoxymethyl)-2-methylpyrimidine

Similarity: 0.79

; ;