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Benzenamine, 2,6-difluoro-4-methoxy- (9CI)

Benzenamine, 2,6-difluoro-4-methoxy- (9CI) structure

CAS No:
151414-47-0
Formula:
C7H7F2NO
Chemical Name:
Benzenamine, 2,6-difluoro-4-methoxy- (9CI)
Synonyms:
Benzenamine, 2,6-difluoro-4-methoxy- (9CI);4-Amino-3,5-difluoroanisole;4-Amino-3,5-difluoroanisole, 2,6-Difluoro-p-anisidine;4-AMino-3,5-difluoroanisole[2,6-Difluoro-4-Methoxyaniline];2,6-Difluoro-4-methoxybenzenamine
Categories:
Organic Chemistry > Coordination Complexes

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Benzenamine, 2,6-difluoro-4-methoxy- (9CI) Basic Attributes

Molecular Weight：

159.1333864

Exact Mass：

159.049576

DSSTox ID：

DTXSID40409270

HScode：

2922299090

Characteristics

PSA：

35.2

XLogP3：

1.4

Density：

1.281±0.06 g/cm3(Predicted)

Melting Point：

38-40℃

Boiling Point：

172.4±35.0 °C(Predicted)

Flash Point：

58.0±25.9 °C

Refractive Index：

1.510

Water Solubility：

Insoluble in water.

Vapor Pressure：

1.34mmHg at 25°C

Safety Information

Packing level：

Ⅲ

Hazard category：

6.1

Transport codes：

2810

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (20%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Benzenamine, 2,6-difluoro-4-methoxy- (9CI) Use and Manufacturing

2, 6-Difluoro-4-methoxyaniline; 10 g (56 mmol) 2, 4, 6-trifluoronitrobenzene are dissolved in 250 ml methanol and a solution of 3.36 g (62 mmol) sodium methanolate in 250 ml methanol is added dropwise. The solution is stirred at room temperature overnight, concentrated under vacuum, and the residue is hydrolysed with water/hydrochloric acid and extracted with ethyl acetate. The crude material is hydrogenated over palladium on charcoal (10percent; 275 mg) in 110 ml methanol at room temperature overnight. The catalyst is filtered off, and the filtrate is concentrated and purified by column chromatography over silica gel (eluent cyclohexane/ethyl acetate 9: 1) to yield 1.24 g (14percent of th.) of the title compound. 'H-NMR (300 MHz, DMSO-d6): 6 = 3.66 (s, 3H), 4.60 (br. s, 2H), 6.55-6. 70 (m, 2H).b) 2, 6-difluoro-4-methoxyaniline (1-61) Palladium on charcoal (439 mg; 10 wt.percent) ) was added to a solution of l, 3-difluro-5- methoxy-2-nitrobenzene and l, 5-difluro-3-methoxy-2-nitrobenzene (1-60) (4.39 g; 23.21 mmol; 1 eq) in methanol (230 mL). The reaction mixture was purged three times with hydrogen and stirred at room temperature for 18h under an atmospheric pressure of hydrogen. After filtration over celite, and concentration under reduced pressure, the crude was purified twice on silica gel using ethyl acetate/cyclohexane (5/95) as an eluent to give the title compound, 2, 6-difluoro-4-methoxyaniline in 12percent yield (455 mg) as a white solid. 1H-NMR (CDC1

Computed Properties

Molecular Weight:159.13
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:159.04957017
Monoisotopic Mass:159.04957017
Topological Polar Surface Area:35.2
Heavy Atom Count:11
Complexity:122
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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2,6-difluoro-4-methoxyaniline 99% kanbei

CAS No.: 151414-47-0

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Guide of Benzenamine, 2,6-difluoro-4-methoxy- (9CI)

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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Benzenamine, 2,6-difluoro-4-methoxy- (9CI)

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