[ CAS No. 25297-52-3 ]

Name: 25297-52-3|2-Chloro-6-methoxy-4-methylpyridine|97%
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3d Animation Molecule Structure of 25297-52-3

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Quality Control of [ 25297-52-3 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 25297-52-3 ]

SDS Specification

Alternatived Products of [ 25297-52-3 ]

Product Details of [ 25297-52-3 ]

CAS No. :	25297-52-3	MDL No. :	MFCD16610595
Formula :	C₇H₈ClNO	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	VZSDUELFJLOABU-UHFFFAOYSA-N
M.W :	157.60	Pubchem ID :	57906710
Synonyms :

Calculated chemistry of [ 25297-52-3 ]

Physicochemical Properties

Num. heavy atoms :	10
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.29
Num. rotatable bonds :	1
Num. H-bond acceptors :	2.0
Num. H-bond donors :	0.0
Molar Refractivity :	40.71
TPSA :	22.12 Å²

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) :	-5.5 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.37
Log Po/w (XLOGP3) :	2.48
Log Po/w (WLOGP) :	2.05
Log Po/w (MLOGP) :	1.49
Log Po/w (SILICOS-IT) :	2.42
Consensus Log Po/w :	2.16

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.76
Solubility :	0.275 mg/ml ; 0.00175 mol/l
Class :	Soluble
Log S (Ali) :	-2.59
Solubility :	0.406 mg/ml ; 0.00258 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.14
Solubility :	0.114 mg/ml ; 0.000721 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.8

Safety of [ 25297-52-3 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P305+P351+P338	UN#:	N/A
Hazard Statements:	H227-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 25297-52-3 ]

* 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.

Upstream synthesis route of [ 25297-52-3 ]
Downstream synthetic route of [ 25297-52-3 ]

[ 25297-52-3 ] Synthesis Path-Upstream 1~1

1
[ 67-56-1 ]
[ 39621-00-6 ]
[ 25297-52-3 ]

Yield	Reaction Conditions	Operation in experiment
61%	Stage #2: for 48 h; Reflux	Reference Example 53; 2-chloro-6-methoxy-4-methyl-pyridine; A solution of 2,6-dichloro-4-methyl-pyridine (250 mg, 1.5 mmol) in methanol (2 mL) was added to a solution of sodium methoxide (prepared from sodium (71 mg, 3.0 mmol) and anhydrous methanol (20 mL)) and heated at reflux for 48 h. The solvent was evaporated and the residue partitioned between water and dichloromethane. The organic layer was separated, washed with water, brine, dried over anhydrous sodium sulfate and concentrated to afford 2-chloro-6-methoxy-4-methyl-pyridine (150 mg, 61percent) as a pale orange oily liquid.

Reference： [1] Inorganic Chemistry, 2017, vol. 56, # 13, p. 7519 - 7532
[2] Patent: US2011/9390, 2011, A1, . Location in patent: Page/Page column 19-20

[ 25297-52-3 ] Synthesis Path-Downstream 1~6

3
[ 67-56-1 ]
[ 39621-00-6 ]
[ 25297-52-3 ]

Yield	Reaction Conditions	Operation in experiment
61%		Reference Example 53; 2-chloro-6-methoxy-4-methyl-pyridine; A solution of 2,6-dichloro-4-methyl-pyridine (250 mg, 1.5 mmol) in methanol (2 mL) was added to a solution of sodium methoxide (prepared from sodium (71 mg, 3.0 mmol) and anhydrous methanol (20 mL)) and heated at reflux for 48 h. The solvent was evaporated and the residue partitioned between water and dichloromethane. The organic layer was separated, washed with water, brine, dried over anhydrous sodium sulfate and concentrated to afford 2-chloro-6-methoxy-4-methyl-pyridine (150 mg, 61%) as a pale orange oily liquid.

Reference： [1]Inorganic Chemistry,2017,vol. 56,p. 7519 - 7532
[2]Patent: US2011/9390,2011,A1 .Location in patent: Page/Page column 19-20

4
[ 25297-52-3 ]
[(2,2′-bipyridine)₂Ru-(4,4′-dimethyl-6,6′-dihydroxybipyridine)]Cl₂ [ No CAS ]

Reference： [1]Inorganic Chemistry,2017,vol. 56,p. 7519 - 7532

5
[ 25297-52-3 ]
6,6′-dimethoxy-4,4′-dimethyl-2,2′-bipyridine [ No CAS ]

Reference： [1]Inorganic Chemistry,2017,vol. 56,p. 7519 - 7532

6
[ 25297-52-3 ]
4,4′-dimethyl-6,6′-dihydroxy-2,2′-bipyridine [ No CAS ]

Reference： [1]Inorganic Chemistry,2017,vol. 56,p. 7519 - 7532

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P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
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P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
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H200	Unstable explosive
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H401	Toxic to aquatic life
H402	Harmful to aquatic life
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H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

[ CAS No. 25297-52-3 ]

Quality Control of [ 25297-52-3 ]

Related Doc. of [ 25297-52-3 ]

Product Details of [ 25297-52-3 ]

Calculated chemistry of [ 25297-52-3 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 25297-52-3 ]

Application In Synthesis of [ 25297-52-3 ]

[ 25297-52-3 ] Synthesis Path-Upstream 1~1

[ 25297-52-3 ] Synthesis Path-Downstream 1~6

Related Functional Groups of [ 25297-52-3 ]

Chlorides

Ethers

Related Parent Nucleus of [ 25297-52-3 ]

Pyridines

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 25297-52-3 ]

Related Parent Nucleus of
[ 25297-52-3 ]