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2-Chloro-N-methoxy-N-methylacetamide

2-Chloro-N-methoxy-N-methylacetamide structure

CAS No:
67442-07-3
Formula:
C4H8ClNO2
Chemical Name:
2-Chloro-N-methoxy-N-methylacetamide
Synonyms:
Acetamide,2-chloro-N-methoxy-N-methyl-;2-Chloro-N-methoxy-N-methylacetamide;N-Methoxy-N-methylchloroacetamide;α-Chloro-N-methoxy-N-methylacetamide;N-Methyl-N-methoxy-2-chloroacetamide
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

white to light yellow crystals

2-Chloro-N-methoxy-N-methylacetamide Basic Attributes

Molecular Weight：

137.56

Exact Mass：

137.56

BRN：

1924015

EC Number：

629-377-5

UNII：

2V3FHW6LWF

DSSTox ID：

DTXSID90370461

HScode：

2924199090

Characteristics

PSA：

29.5

XLogP3：

0.4

Appearance：

White to light yellow Crystals

Density：

1.2±0.1 g/cm3

Melting Point：

38.1-39.0 °C

Boiling Point：

94-95 °C

Flash Point：

220 °F

Refractive Index：

1.443

Water Solubility：

Insoluble in water.

Storage Conditions：

Refrigerator

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

20/21/22

safety instructions：

23-26-27-28-37/39

Marks：

Precautionary statement(s)：

P280

Hazard Statements：

H302-H312-H332

GHS Classification：

|Warning|H302 (86.67%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Chloro-N-methoxy-N-methylacetamide Use and Manufacturing

STR92 N-methoxy-N-methylchloroacetamide A 3 L four necked flask equipped with Teflon-blade stirrer, reflux condenser and thermo-pocket was charged with N-methoxymethanamine hydrochloride (345g), water (1 .6 litre) and the resulting reaction mixture was cooled to 0 to -5 °C. Then potassium carbonate (1466 g) was added in lots to the above reaction mixture followed by the addition of methyl tert-butyl ether (1 .4 litre). The chloroacetyl chloride (400 g) was dissolved in tert-butyl methyl ether (0.2 litre) and added dropwise in to the above kept reaction mixture at - 5°C to 0°C and the reaction mixture was stirred for 2 h at 0°C. The reaction mixture was allowed to come to ambient temperature and two phases were separated. The organic layer was dried over sodium sulfate, filtered and evaporated to provide 2-chloro-N-methoxy-N-methyl-acetamide as white solid (440 g, 90percent yield and 98.0percent area purity by HPLC).General procedure: A solution of NHMe(OMe) (0.360 g, 6.0 mmol) and benzoic acid (0.244 g, 2.0 mmol) was stirred in dry toluene (10 mL) at 0 °C for 10 min. A solution of PClTo a solution of 21.2 kg potassium carbonate K2COEXAMPLE 7 1-methyl-5-(4-(trifluoromethoxy)phenyl)-1H-imidazole (0.50 g, 2.06 mmol, 1.0 eq) was dissolved in 36 tetrahydrofuran (10 ml), and the inside of the reactor was replaced with nitrogen. Subsequently, the mixture was cooled to -70 C. 37 n-Butyllithium (2.65 M, n-hexane solution) (0.95 ml) was dropwise added thereto, and the mixture was stirred for 30 minutes at -70 C. 83

Computed Properties

Molecular Weight:137.56
XLogP3:0.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:137.0243562
Monoisotopic Mass:137.0243562
Topological Polar Surface Area:29.5
Heavy Atom Count:8
Complexity:86.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Chloro-N-methoxy-N-methylacetamide

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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2-Chloro-N-methoxy-N-methylacetamide

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