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Cas Database

Name	2-Phenylacetamide	EINECS	203-147-0
CAS No.	103-81-1	Density	1.098 g/cm³
PSA	43.09000	LogP	1.41470
Solubility	N/A	Melting Point	156 °C
Formula	C₈H₉NO	Boiling Point	312.2 °C at 760 mmHg
Molecular Weight	135.166	Flash Point	142.6 °C
Transport Information	N/A	Appearance	White krystalline powder.
Safety	22-24/25	Risk Codes	22-36
Molecular Structure		Hazard Symbols	Xi
Synonyms	Acetamide,2-phenyl- (6CI,8CI);Benzenediacetamide (7CI);Benzeneacetamide;NSC 1877;Phenacetamide;Phenyl-b-acetylamine;Phenylacetic acid amide;a-Phenylacetamide;a-Toluamide;a-Toluimidic acid;	Article Data	287

2-Phenylacetamide Synthetic route

: 140-29-4
phenylacetonitrile

: 103-81-1
Benzeneacetamide

Conditions

Conditions	Yield
With sodium hydroxide; trisodium tris(3-sulfophenyl)phosphine; water; chloro(1,5-cyclooctadiene)rhodium(I) dimer In ethyl acetate at 90℃; for 24h; pH=11.7; hydration;	100%
With Acetaldehyde oxime In methanol at 65℃; for 4h;	100%
With [RuH(tBu-PNP(-))(CO)]; water In tert-butyl alcohol at 20℃; for 24h;	99%

: 30516-21-3
1-(1H-benzo[d][1,2,3]triazol-1-yl)-2-phenylethan-1-one

: 103-81-1
Benzeneacetamide

Conditions

Conditions	Yield
With ammonium hydroxide In tetrahydrofuran; ethanol at 20℃; for 4h;	100%

: 103-82-2
phenylacetic acid

: 103-81-1
Benzeneacetamide

Conditions

Conditions	Yield
With titanium tetrachloride; ammonium carbamate In tetrahydrofuran at 100℃; for 24h; Reagent/catalyst; Inert atmosphere; Molecular sieve;	99%
Stage #1: phenylacetic acid With niobium pentachloride In dichloromethane Stage #2: With ammonia In dichloromethane at 45 - 50℃; for 0.5h;	93%
Stage #1: phenylacetic acid With thionyl chloride In chloroform at 0 - 70℃; for 3h; Stage #2: With ammonia In chloroform; water at 20℃; for 0.166667h;	91.8%

: 33054-04-5
phenylacetyl azide

: 103-81-1
Benzeneacetamide

Conditions

Conditions	Yield
With (1,4-diazabicyclo{2.2.2}-octane)zinc(II) tetrahydoborate In tetrahydrofuran for 0.75h; Ambient temperature;	98%

: 1299492-08-2
2-[(R)-(carbamoylphenylmethyl)-amino]-3-(4-methoxyphenyl)-2-(S)-methylpropionamide

A: 1299492-09-3
2-(S)-amino-3-(4-methoxyphenyl)-2-methylpropionamide

B: 103-81-1
Benzeneacetamide

Conditions

Conditions	Yield
With ammonium formate; palladium on carbon In isopropyl alcohol for 1h; Product distribution / selectivity; Inert atmosphere; Reflux;	A 96% B n/a

: 127-19-5
N,N-dimethyl acetamide

: 62-53-3
aniline

: 103-81-1
Benzeneacetamide

Conditions

Conditions	Yield
With potassium tert-butylate at 130℃; for 0.5h; Temperature; Inert atmosphere; Microwave irradiation;	96%

: 122-78-1
phenylacetaldehyde

: 103-81-1
Benzeneacetamide

Conditions

Conditions	Yield
With copper(ll) sulfate pentahydrate; hydroxylamine hydrochloride; sodium acetate at 110℃; for 5h; Neat (no solvent);	95%
Stage #1: phenylacetaldehyde With hydroxylamine hydrochloride; sodium carbonate In water at 20℃; for 0.5h; Schlenk technique; Stage #2: With [(eta.(5)-pentamethylcyclopentadienyl)Ir(H2O)3](OTf)2 In water at 110℃; for 12h; Schlenk technique;	86%
Stage #1: phenylacetaldehyde With hydroxylamine hydrochloride; sodium carbonate In water at 20℃; for 0.5h; Schlenk technique; Stage #2: With [(eta.(5)-pentamethylcyclopentadienyl)Ir(H2O)3](OTf)2 In water at 110℃; for 12h;	86%

: 2-phenyl-N-(1-phenyl-ethyl)-acetamide

: 103-81-1
Benzeneacetamide

Conditions

Conditions	Yield
With methanesulfonic acid In toluene for 6h; Product distribution; Further Variations:; Reagents; Temperatures; Heating;	95%

aqueous potassium hydroxide: aqueous potassium hydroxide

: 140-29-4
phenylacetonitrile

: 103-81-1
Benzeneacetamide

Conditions

Conditions	Yield
With N-benzyl-N,N,N-triethylammonium chloride; dihydrogen peroxide In isopropyl alcohol	95%

: C9H13NO2

: 103-81-1
Benzeneacetamide

Conditions

Conditions	Yield
With sodium at 140℃; for 5.5h; Autoclave;	94.8%

2-Phenylacetamide Chemical Properties

Structure of 2-Phenylacetamide (CAS NO.103-81-1):

IUPAC Name: 2-phenylacetamide
Empirical Formula: C₈H₉NO
Molecular Weight: 135.1632
EINECS: 203-147-0
Index of Refraction: 1.552
Molar Refractivity: 39.36 cm³
Molar Volume: 123 cm³
Polarizability: 15.6×10^-24cm³
Surface Tension: 44.5 dyne/cm
Density: 1.098 g/cm³
Flash Point: 142.6 °C
Enthalpy of Vaporization: 55.32 kJ/mol
Melting Point: 156 °C
Boiling Point: 312.2 °C at 760 mmHg
Vapour Pressure: 0.000537 mmHg at 25°C
Canonical SMILES: C1=CC=C(C=C1)CC(=O)N
InChI: InChI=1S/C8H9NO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)
InChIKey: LSBDFXRDZJMBSC-UHFFFAOYSA-N

2-Phenylacetamide Uses

2-Phenylacetamide (CAS NO.103-81-1) are used as intermediates for penicillin G and phenobarbital drug , etc. It is also used in organic synthesis.

2-Phenylacetamide Toxicity Data With Reference

ipr-mus LD50:430 mg/kg

PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. 10 (1976),579.

2-Phenylacetamide Consensus Reports

Reported in EPA TSCA Inventory.

2-Phenylacetamide Safety Profile

Moderately toxic by intraperitoneal route. When heated to decomposition it emits toxic fumes of NO_x.
Hazard Codes: Xi
Safety Statements: 22-24/25
S22:Do not breathe dust.
S24/25:Avoid contact with skin and eyes.
RTECS: AC7705000
Hazard Note: Irritant

2-Phenylacetamide Specification

2-Phenylacetamide , its cas register number is 103-81-1. It also can be called Phenyl-beta-acetylamine ; Phenylacetic acid amide ; alpha-Phenylacetamide ; alpha-Toluamide ; alpha-Toluimidic acid .

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