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. 30529-70-5 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 30529-70-5
Chemical Structure| 30529-70-5
Structure of 30529-70-5 * 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 [ 30529-70-5 ]

Related Doc. of [ 30529-70-5 ]

Alternatived Products of [ 30529-70-5 ]
Product Citations

Product Details of [ 30529-70-5 ]

CAS No. :30529-70-5 MDL No. :MFCD00134165
Formula : C7H6ClNO2 Boiling Point : No data available
Linear Structure Formula :- InChI Key :ACQXHCHKMFYDPM-UHFFFAOYSA-N
M.W : 171.58 Pubchem ID :121724
Synonyms :

Calculated chemistry of [ 30529-70-5 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.14
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 41.17
TPSA : 50.19 ?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) : -6.11 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.31
Log Po/w (XLOGP3) : 1.74
Log Po/w (WLOGP) : 1.74
Log Po/w (MLOGP) : -0.18
Log Po/w (SILICOS-IT) : 1.82
Consensus Log Po/w : 1.28

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -2.34
Solubility : 0.789 mg/ml ; 0.0046 mol/l
Class : Soluble
Log S (Ali) : -2.41
Solubility : 0.666 mg/ml ; 0.00388 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.4
Solubility : 0.688 mg/ml ; 0.00401 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.6

Safety of [ 30529-70-5 ]

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

Application In Synthesis of [ 30529-70-5 ]

* 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 [ 30529-70-5 ]

[ 30529-70-5 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 13220-33-2 ]
  • [ 30529-70-5 ]
  • Sodium; 6-methyl-2-(1-methyl-pyrrolidin-3-yloxy)-nicotinate [ No CAS ]
  • 2
  • [ 38116-61-9 ]
  • [ 30529-70-5 ]
YieldReaction ConditionsOperation in experiment
With trichlorophosphate; Reference Example 6 The preparation of 2-chloro-6-methylnicotinic acid Phosphorus oxychloride (50 ml) was added with cooling (icebath) to <strong>[38116-61-9]2-hydroxy-6-methylnicotinic acid</strong> (10 g) over a period of 20 minutes. The resulting suspension was stirred at the reflux temperature for 4 hours to give an orange solution. The excess phosphorus oxychloride was removed by evaporation. The residue was added carefully to ice/water with stirring. The mixture was basified to pH 10 with 2N sodium hydroxide solution then stirred for 1 hour. The resulting solution was washed with diethyl ether then acidified to pH 3-4 with concentrated hydrochloric acid. The mixture was extracted with ethyl acetate. The organic extracts were combined, dried and evaporated to yield the title compound as a yellow solid, 4.63 g, m.p. 161-162 C. Further acidification of the aqueous residue to pH 2 followed by extraction with ethyl acetate as described above yielded a further batch of the title compound as a cream solid, 5.81 g, m.p. 162-163 C.
  • 3
  • [ 38116-61-9 ]
  • [ 30529-70-5 ]
  • [ 76335-91-6 ]
YieldReaction ConditionsOperation in experiment
In trichlorophosphate; EXAMPLE 2 1-Ethyl-1,2-dihydro-4-hydroxy-7-methyl-2-oxo-1,8-naphthyridine-3-carboxylic acid ethyl ester A stirred mixture of 12 g. of <strong>[38116-61-9]2-hydroxy-6-methylnicotinic acid</strong> in 100 ml. of phosphorus oxychloride was heated under reflux for 3 hours. The phosphorus oxychloride was removed in a rotary evaporator and the residue was poured onto 500 ml. of ice. The mixture was stirred at room temperature for 3 hours and was filtered. The filter cake was collected, air dried and was recrystallized from ethyl acetate to give 7.0 g. of 2-chloro-6-methylnicotinic acid, m.p. 158-60 C. (Ref. Zalay et al., U.S. Pat. No. 3,838,120; m.p. 142-9 C.
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 30529-70-5 ]

Chlorides

Chemical Structure| 120003-75-0

[ 120003-75-0 ]

2-Chloro-5,6-dimethylnicotinic acid

Similarity: 0.96

Chemical Structure| 53277-47-7

[ 53277-47-7 ]

Methyl 2-chloro-6-methylnicotinate

Similarity: 0.94

Chemical Structure| 66662-48-4

[ 66662-48-4 ]

2-Chloro-4,6-dimethylnicotinic acid

Similarity: 0.93

Chemical Structure| 40134-18-7

[ 40134-18-7 ]

Methyl 2-chloronicotinate

Similarity: 0.90

Chemical Structure| 339151-88-1

[ 339151-88-1 ]

Methyl 2-chloro-4,6-dimethylnicotinate

Similarity: 0.88

Carboxylic Acids

Chemical Structure| 120003-75-0

[ 120003-75-0 ]

2-Chloro-5,6-dimethylnicotinic acid

Similarity: 0.96

Chemical Structure| 66662-48-4

[ 66662-48-4 ]

2-Chloro-4,6-dimethylnicotinic acid

Similarity: 0.93

Chemical Structure| 38025-90-0

[ 38025-90-0 ]

2-Chloro-6-hydroxynicotinic acid

Similarity: 0.87

Chemical Structure| 59782-85-3

[ 59782-85-3 ]

2,5-Dichloronicotinic acid

Similarity: 0.86

Chemical Structure| 25462-85-5

[ 25462-85-5 ]

2-Chloro-6-methylisonicotinic acid

Similarity: 0.85

Related Parent Nucleus of
[ 30529-70-5 ]

Pyridines

Chemical Structure| 120003-75-0

[ 120003-75-0 ]

2-Chloro-5,6-dimethylnicotinic acid

Similarity: 0.96

Chemical Structure| 53277-47-7

[ 53277-47-7 ]

Methyl 2-chloro-6-methylnicotinate

Similarity: 0.94

Chemical Structure| 66662-48-4

[ 66662-48-4 ]

2-Chloro-4,6-dimethylnicotinic acid

Similarity: 0.93

Chemical Structure| 40134-18-7

[ 40134-18-7 ]

Methyl 2-chloronicotinate

Similarity: 0.90

Chemical Structure| 339151-88-1

[ 339151-88-1 ]

Methyl 2-chloro-4,6-dimethylnicotinate

Similarity: 0.88

; ;