CAS 620-08-6 4-Methoxypyridine (HCID 69278)

Names & identifiers

Preferred name: 4-Methoxypyridine
IUPAC: 4-methoxypyridine
English name: 4-Methoxypyridine
Molecular formula: C6H7NO
Molecular weight: 109.13

Names & synonyms

4-Methoxypyridine620-08-6DTXSID10211029RefChem:99673DTXCID60133520210-624-7Pyridine, 4-methoxy-MFCD00674049.gamma.-Methoxypyridine4-methoxylpyridine4-methoxy-pyridineEINECS 210-624-7

Show more names

4-Methoxypyridin4-methoxyridine4-methoxypridine4-Methoxypyridine>gamma-Methoxypyridine4-Methoxypyridine,99%4-METHOXYPYRIDINE, 98+%

4-Methoxypyridine 95+%4-Methoxypyridine, 97%AKOS002664334HY-W007634gamma-Methoxypyridine;EN300-84486AC-907/25004551methyl pyridin-4-yl ether

Database identifiers

CAS: 620-08-6
PubChem CID: 69278
DTXSID: DTXSID10211029
EC Number: 210-624-7
Nikkaji: J96.108F

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 22.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 8
Formal charge: 0
Complexity: 59.5

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

LogP1.0

Ionization Efficiency · 6 items

Positive

3.24

2.7

Agilent XCT

Electrospray ionization

formic acid (5.3nM)

Physicochemical properties

Melting point: 4 °C · 4 °C
Boiling point: 108 · 108-111 °C/65 mmHg (lit.)
Density: 1.075 g/mL · 1.075 g/mL at 25 °C (lit.)
refractive index: 1.518 · 1.518-1.522
Flash point: 74 °C · 74 °C
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: DMSO (Slightly), Methanol (Slightly)
form: Liquid
pka: 6.58 · 6.58(at 25℃)
Specific Gravity: 1.075 · 1.075
color: Clear colorless to slightly yellow
BRN: 108211 · 108211
InChI: InChI=1S/C6H7NO/c1-8-6-2-4-7-5-3-6/h2-5H,1H3
InChIKey: XQABVLBGNWBWIV-UHFFFAOYSA-N
SMILES: C1=NC=CC(OC)=C1
CAS DataBase Reference: 620 · 620-08-6(CAS DataBase Reference)
NIST Chemistry Reference: 4 · Pyridine, 4-methoxy-(620-08-6)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xn,Xi
Risk Statements: 36 · 36/37/38-20/21/22
Safety Statements: 37 · 37/39-26-36-36/37/39
WGK Germany: 3 · 3
HS Code: 29339900 · 29339900
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 62 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
hs_code: 29339900
risk_code: 36/37/38-20/21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn,Xi
safety_code: 37/39-26-36-36/37/39
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 3 items

Uses4-Methoxypyridine, is used as a building block for the synthesis of some biologically active compounds. It is used for the preparation of a new series of benzoylated N-ylides as protein farnesyltransferase inhibitors.

Uses4-Methoxypyridine was used as a starting reagent for the stereocontrolled synthesis of (±)-pumiliotoxin C and (±)-lasubine II. It was also used in an efficient construction of dihyropyridin-4-ones, which serves as potential ligands for neuronal nicotinic acetycholine receptors.

General Description4-Methoxypyridine has been prepared from 4-methoxypyridine-N-oxide, via catalytic hydrogenation. Ortho lithiation of 4-methoxypyridine using mesityllithium as the metalating base has been studied.

Upstream & downstream products

Downstream products

4-n-Decylpyridine 3,4-Dimethoxy-2-Methylpyridine 4-Methoxypiperidine 3-Bromo-4-methoxy-pyridine 2-Bromo-4-methoxypyridine 4-Methoxypyridine N-oxide Benzyl 2-n-propyl-4-oxo-3,4-dihydropyridine-1(2H)-carboxylate benzyl 3,4-dihydro-4-oxo-2-phenylpyridine-1(2H)-carboxylate Phenyl 4-oxo-2-phenyl-3,4-dihydropyridine-1(2H)-carboxylate 3-Pyridinecarboxaldehyde, 4-methoxy-5-methyl- (9CI)

Suppliers100 total

阜新奥瑞凯精细化工有限公司0418-5113999 18740177324 · [email protected]

北京华美互利生物化工010-56205725 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Related reactions

70 records

New reaction record

HRID 8525As reactantuspto-grants-2006_08

HRID 15734As reactantuspto-grants-2010_06

HRID 24962As reactantuspto-grants-2005_02

HRID 34501As reactantuspto-grants-1988_08

HRID 166761As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 179137As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 194774As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 197945As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

Compound notes

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Basic information