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2-Phenoxyaniline

2-Phenoxyaniline structure

CAS No:
2688-84-8
Formula:
C12H11NO
Chemical Name:
2-Phenoxyaniline
Synonyms:
Benzenamine,2-phenoxy-;Aniline,o-phenoxy-;2-Phenoxybenzenamine;2-Aminodiphenyl ether;o-Phenoxyaniline;o-Aminophenyl phenyl ether;2-Phenoxyaniline;o-Aminodiphenyl ether;NSC 39655;2-Phenoxyphenylamine;2-Aminophenyl phenyl ether;2-Phenoxylaniline;2-Phenoxaniline
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Whitetolightyellowcrystalpowde

2-Phenoxyaniline Basic Attributes

Molecular Weight：

185.22

Exact Mass：

185.22

BRN：

777766

EC Number：

220-254-8

NSC Number：

39655

DSSTox ID：

DTXSID6062593

HScode：

2922299090

Characteristics

PSA：

35.2

XLogP3：

2.5

Appearance：

Brown to gray Crystalline Powder or Flakes

Density：

1.1±0.1 g/cm3

Melting Point：

45.8 °C

Boiling Point：

308 °C

Flash Point：

>230 °F

Refractive Index：

1.619

Water Solubility：

Slightly soluble in chloroform and methanol.

Storage Conditions：

0-10°C

Toxicity：

LD50 ivn-mus: 212 mg/kg TXCYAC 8,347,77

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

2811

wgk germany：

hazard class code：

20/21/22-36/37/38-22

safety instructions：

26-37/39-36/37/39-36

RTECS Number：

BY7940000

Marks：

Xn,Xi

Hazard note：

Irritant

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H312-H315-H319-H332-H335

GHS Classification：

|Warning|H302 (97.92%): 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 49 companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Phenoxyaniline Use and Manufacturing

Methods of Manufacturing

General procedure: all reactions were carried out under air. Aryl halides (1.0 mmol) was treated with phenol (1.0 mmol) in the presence of 0.1 mmol CuI , 0.2 mmol 1-(α-aminobenzyl)-2-naphthols and 2.0 equiv KGeneral procedure: To a stirred suspension of appropriate aryl halide(2.0 mmol) and phenol (2.0 mmol) in 6 ml water, Ni-alumina (0.125g, 6 mol percent ofnickel metal) was added followed by KGeneral procedure: To a stirred suspension of appropriate aryl halide(2.0 mmol) and phenol (2.0 mmol) in 6 ml water, Ni-alumina (0.125g, 6 mol percent ofnickel metal) was added followed by KMethanol (250ml) in the 2-nitro-diphenyl ether (16g, 74mmol) was shaken for 30 minutes at 20~50° C under a hydrogen atmosphere together with palladium on charcoal (1.6g). There is absorption of rapid hydrogen, temperature as a result of the 20 ~ 50° C of detectable heat is rising rapidly, and finally back to the original drop. In order to suppress the temperature rises above 50° C , it was stopped a short time shaking. The reaction was then filtered through celite, and concentrated to give in a high vacuum, 2-amino-diphenyl ether (13.5g, 72.9mmol, 98percent) was obtained as an oil, which crystallized on standing did.General procedure: The mixture of intermediate Bn-i (i eq.), 5percent PdC(iO g, 0.0i5 eq) in EtOR (680 ml, 0.5M) was stirred at 70° C. Hydrazine monohydrate (3i .6 g, 2 eq.) was then slowly added to the mixture. Afier the completion of the reaction, the solution was filtered through a pad of Celite, followed by concentration under reduced pressure to obtain intermediate Bn-2. The product was identified as intermediate Bi-2 by FD-MS analysis. Take Intermediate Bi-2 as an example, FD-MS analysis: C12H11N0: theoretical value of 185.22 and observed value of 185.22.2-phenoxynitrobenzene (0.245 g, 1.0 mmol) was dissolved in 30 ml of ethanol, and 80percent hydrazine hydrate (0.069 g, 1.0 mmol) was added thereto with stirring, and the mixture was heated to reflux for 8 hours, cooled, filtered. , desolved to a brown solid, the intermediate 2-phenoxyaniline, yield 93percent2-phenoxynitrobenzene (0.215 g, 1.0 mmol) soluble in 30mL of ethanol, add 80percent by mass of hydrazine hydrate (0.068 g, 1.0 mmol) with stirring. The temperature was raised to 80 °C and refluxed for 6.0 h. Cooling, filtering, desolved to a brown solid, 2-phenoxyaniline, the yield was 90percent.

Uses

Used as dye intermediate

Manufacturing Info：

Benzenamine, 2-phenoxy-: ACTIVE

Computed Properties

Molecular Weight:185.22
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:185.084063974
Monoisotopic Mass:185.084063974
Topological Polar Surface Area:35.2
Heavy Atom Count:14
Complexity:166
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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2-Phenoxyaniline CAS: 2688-84-8

CAS No.: 2688-84-8

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2-Phenoxyaniline 2688-84-8

CAS No.: 2688-84-8

Grade: Industrial Grade

Content: 99%

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