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2,4-Dichloro-5-methoxypyrimidine

2,4-Dichloro-5-methoxypyrimidine structure

CAS No:
19646-07-2
Formula:
C5H4Cl2N2O
Chemical Name:
2,4-Dichloro-5-methoxypyrimidine
Synonyms:
2,4-Dichloro-5-methoxy-1,3-diazine, 2,4-Dichloropyrimidin-5-yl methyl ether;2,4- twochloro -5-MethoxypyriMidine;5-METHOXY-2,4-DICHLORO PYRIMIDINE;SPECS AO-324/25087002;2,4-AICHLORO-5-METHOXY PYRIMIDINE;2,4-Dichloro-5-methoxpyrimidine;2,4-DICHLORO-5-METHOXYPYRIMIDINE, 98+%;2,4-Dichloro-5-methoxypyrimidine
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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2,4-Dichloro-5-methoxypyrimidine Basic Attributes

Molecular Weight：

179

Exact Mass：

177.970062

EC Number：

1312995-182-4

DSSTox ID：

DTXSID00345044

HScode：

29335990

Characteristics

PSA：

XLogP3：

2.1

Appearance：

white or slight yellow solid

Density：

1.446±0.06 g/cm3(Predicted)

Melting Point：

68 °C

Boiling Point：

259.9±20.0 °C(Predicted)

Flash Point：

111.0±21.8 °C

Refractive Index：

1.541

Water Solubility：

Slightly soluble in water.

Vapor Pressure：

0.0204mmHg at 25°C

Safety Information

Hazard category：

IRRITANT, CORROSIVE

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

22-37/38-41

safety instructions：

26-39

Marks：

Xi,C,Xn

Hazard note：

Harmful

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H315-H318-H335

GHS Classification：

|Danger|H302 (97.56%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 41 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2,4-Dichloro-5-methoxypyrimidine Use and Manufacturing

Methods of Manufacturing

Intermediate 2: 2, 4-Dichloro- -methoxypyrimidine2, 4-Dihydroxy-5-methoxypyrimidine (45g, 0.316mol), phosphorous oxychloride (225mL, 0.88mol), and Ν, Ν-dimethylaniline (45mL, 0.391mol) were heated under reflux for 2h. The mixture was poured onto crushed ice (80 g.), and the product collected in ether. Recrystallisation from light petroleum (b.p: 40-60 °C) gave 2, 4- dichloro-5-methoxypyrimidine (43g, 75percent).Mass: (ES+) 179 (M+H)2, 4-Dichloro-5-methoxy-pyrimidine[0082] In ice bath, dimethyl-phenyl-amine (6.58 ml, 51.65 mmol, 0.5 eq) was added dropwise to a slurry of 5-methoxy-pyrimidine-2, 4-diol (14.68 g, 1.0 eq) in POCI3 (47.42 ml, 5.0 eq) and refluxed overnight. Excess POClIntermediate 18; 2, 4-Dichloro-5-(methoxy)pyrimidine 5-(Methoxy)-2, 4(1H, 3H)-pyrimidinedione (18 g; 0.128 moles), phosphorous oxychloride (90 mL) and dimethylaniline (18 mL) were heated to reflux for 2 h. The system was cooled to room temperature and carefully poured over ice. The white solid formed was separated by filtration. The aqueous filtrate was extracted with diethyl ether (4.x.). The ether layers were combined and dried over anhydrous sodium sulfate. Removal of the solvent in vacuo afforded Intermediate 18 (6 g; 40percent yield based on recovered starting material). MS: (M+H)

Uses

Used for preparation of heteroarylpiperazine derivatives for use in treatment of Alzheimer's disease.

Computed Properties

Molecular Weight:179.00
XLogP3:2.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:177.9700681
Monoisotopic Mass:177.9700681
Topological Polar Surface Area:35
Heavy Atom Count:10
Complexity:114
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Phosphorus oxychloride

Urea

Benzene

PETROLEUM ETHER

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2,4-Dichloro-5-methoxypyrimidine

CAS No.: 19646-07-2

Content: 99.00%

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CAS No.: 19646-07-2

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2,4-Dichloro-5-methoxypyrimidine

CAS No.: 19646-07-2

Grade: Industrial Grade

Content: 98%

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Guide of 2,4-Dichloro-5-methoxypyrimidine

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Material
Recommended Suppliers
Latest News
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2,4-Dichloro-5-methoxypyrimidine

SDS

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