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114-70-5

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114-70-5 Usage

Uses

Different sources of media describe the Uses of 114-70-5 differently. You can refer to the following data:
1. Sodium phenylacetate is pale yellow in aqueous solution. It is used as a precursor in production of penicillin G; intermediate for producing heavy metal salts which act as fungicides. Used with sodium benzoate for the treatment of acute hyperammonemia and associated encephalopathy in patients with deficiencies in enzymes of the urea cycle.
2. anesthetic (local)

Chemical Properties

Soluble in water; insoluble in alcohol, ether, and ketones; 50% aqueous solution has p H 7.0–8.5 and is pale yellow. Solution tends to crys- tallize at 15C.

Purification Methods

Its aqueous solution is evaporated to crystallisation on a steam bath; the crystals are washed with absolute EtOH and dried under vacuum at 80o. [Beilstein 9 IV 1614.]

Check Digit Verification of cas no

The CAS Registry Mumber 114-70-5 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 1,1 and 4 respectively; the second part has 2 digits, 7 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 114-70:
(5*1)+(4*1)+(3*4)+(2*7)+(1*0)=35
35 % 10 = 5
So 114-70-5 is a valid CAS Registry Number.
InChI:InChI=1/C8H8O2.Na/c9-8(10)6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,9,10);/q;+1/p-1

114-70-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name sodium,2-phenylacetate

1.2 Other means of identification

Product number -
Other names natriumphenylacetat

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:114-70-5 SDS

114-70-5Synthetic route

Benzeneacetamide
103-81-1

Benzeneacetamide

sodium phenylacetate
114-70-5

sodium phenylacetate

Conditions
ConditionsYield
Stage #1: Benzeneacetamide With hydrogenchloride; water Heating;
Stage #2: With sodium hydroxide Reagent/catalyst;
99.5%
methanol
67-56-1

methanol

carbon monoxide
201230-82-2

carbon monoxide

benzyl chloride
100-44-7

benzyl chloride

A

benzyl methyl ether
538-86-3

benzyl methyl ether

B

sodium phenylacetate
114-70-5

sodium phenylacetate

Conditions
ConditionsYield
With sodium hydroxide; dicobalt octacarbonyl at 60 - 65℃; under 760.051 - 2280.15 Torr;A n/a
B 97%
benzyl sodium
1121-53-5

benzyl sodium

methylammonium carbonate
15719-64-9, 15719-76-3, 97762-63-5

methylammonium carbonate

sodium phenylacetate
114-70-5

sodium phenylacetate

phenylacetic acid
103-82-2

phenylacetic acid

sodium phenylacetate
114-70-5

sodium phenylacetate

Conditions
ConditionsYield
With sodium methylsulfinylmethanide In dimethyl sulfoxide
With sodium hydroxide In water
With sodium hydroxide In water pH=8.0;
With sodium hydroxide In water pH=9 - 10;
Ethyl 2-phenylethanoate
101-97-3

Ethyl 2-phenylethanoate

sodium

sodium

A

sodium phenylacetate
114-70-5

sodium phenylacetate

B

ethyl acetate
141-78-6

ethyl acetate

C

hydrogen

hydrogen

propyl phenylacetate
4606-15-9

propyl phenylacetate

sodium

sodium

A

1-Propyl acetate
109-60-4

1-Propyl acetate

B

sodium phenylacetate
114-70-5

sodium phenylacetate

2-oxo-2-phenylethyl 2-phenylacetate
98078-08-1

2-oxo-2-phenylethyl 2-phenylacetate

A

sodium phenylacetate
114-70-5

sodium phenylacetate

B

acetophenone
98-86-2

acetophenone

Conditions
ConditionsYield
With cetyltrimethylammonim bromide; sodium carbonate; triethylamine at 20℃; for 12h; Product distribution; Further Variations:; Reagents; Solvents; time periods; Photolysis;
carbon dioxide
124-38-9

carbon dioxide

benzyl sodium
1121-53-5

benzyl sodium

sodium phenylacetate
114-70-5

sodium phenylacetate

Conditions
ConditionsYield
In toluene
phenylacetic acid
103-82-2

phenylacetic acid

sodium hydroxide
1310-73-2

sodium hydroxide

sodium phenylacetate
114-70-5

sodium phenylacetate

Conditions
ConditionsYield
In water at 70℃;
sodium phenylacetate
114-70-5

sodium phenylacetate

phenylacetic acid
103-82-2

phenylacetic acid

Conditions
ConditionsYield
With sulfuric acid at 70 - 75℃; pH=1.5;99.75%
With hydrogenchloride In water; toluene pH=2;
n-octyl methanesulfonate
16156-52-8

n-octyl methanesulfonate

sodium phenylacetate
114-70-5

sodium phenylacetate

phenylacetic acid octyl ester
122-45-2

phenylacetic acid octyl ester

Conditions
ConditionsYield
With sodium hydroxide; tetrahexylammonium chloride In water; benzene at 60℃; for 24h;95%
With cyclophosphazenic polypodand In chlorobenzene at 60℃; Rate constant; different catalysts;
sodium phenylacetate
114-70-5

sodium phenylacetate

benzaldehyde
100-52-7

benzaldehyde

Conditions
ConditionsYield
With potassium 12-tungstocobaltate(III) In water; acetonitrile for 0.133333h; Microwave irradiation;94%
sodium phenylacetate
114-70-5

sodium phenylacetate

α-bromoacetophenone
70-11-1

α-bromoacetophenone

2-oxo-2-phenylethyl 2-phenylacetate
98078-08-1

2-oxo-2-phenylethyl 2-phenylacetate

Conditions
ConditionsYield
With triethylamine; sodium iodide In acetone Heating;93%
sodium phenylacetate
114-70-5

sodium phenylacetate

tri(p-tolyl)antimony dibromide
60043-16-5

tri(p-tolyl)antimony dibromide

bis-(2-phenylacetato)tris-(p-tolyl)antimony(V)

bis-(2-phenylacetato)tris-(p-tolyl)antimony(V)

Conditions
ConditionsYield
In toluene at 20℃; for 12h;91%
2,5-dimethylphenacyl chloride
50690-11-4

2,5-dimethylphenacyl chloride

sodium phenylacetate
114-70-5

sodium phenylacetate

2,5-dimethylphenacyl phenylacetate
378215-25-9

2,5-dimethylphenacyl phenylacetate

Conditions
ConditionsYield
With triethylamine; sodium iodide In acetone Esterification; Heating;84%
sodium phenylacetate
114-70-5

sodium phenylacetate

(2E)-3-phenyl-2-propen-1-ol
4407-36-7

(2E)-3-phenyl-2-propen-1-ol

(E)-cinnamyl phenylacetate
133871-04-2

(E)-cinnamyl phenylacetate

Conditions
ConditionsYield
With tetra-(n-butyl)ammonium iodide; triethylamine In N,N-dimethyl-formamide for 5h; Heating;80%
nickel(II) perchlorate hexahydrate

nickel(II) perchlorate hexahydrate

2,6-bis((2-(2-hydroxyethylamino)-ethylimino)methyl)-4-methylphenol

2,6-bis((2-(2-hydroxyethylamino)-ethylimino)methyl)-4-methylphenol

sodium phenylacetate
114-70-5

sodium phenylacetate

C17H27N4O3(1-)*2Ni(2+)*2C8H7O2(1-)*ClO4(1-)*CH4O*H2O

C17H27N4O3(1-)*2Ni(2+)*2C8H7O2(1-)*ClO4(1-)*CH4O*H2O

Conditions
ConditionsYield
Stage #1: nickel(II) perchlorate hexahydrate; 2,6-bis{(2-(2-hydroxyethylamino)-ethylimino)methyl}-4-methylphenol With air In methanol at 20℃; for 0.25h;
Stage #2: sodium phenylacetate In methanol; water for 1.5h; Reflux;
78%
copper(II) perchlorate hexahydrate

copper(II) perchlorate hexahydrate

2,6-bis((2-(2-hydroxyethylamino)-ethylimino)methyl)-4-methylphenol

2,6-bis((2-(2-hydroxyethylamino)-ethylimino)methyl)-4-methylphenol

sodium phenylacetate
114-70-5

sodium phenylacetate

[Cu6(μ-2,6-bis{(2-(2-hydroxyethylamino)ethylimino)methyl}-4-methylphenol)2(μ3-OH)2(μ1,3-O2CCH2Ph)4(ClO4)2](ClO4)2·2H2O

[Cu6(μ-2,6-bis{(2-(2-hydroxyethylamino)ethylimino)methyl}-4-methylphenol)2(μ3-OH)2(μ1,3-O2CCH2Ph)4(ClO4)2](ClO4)2·2H2O

Conditions
ConditionsYield
In methanol for 1.91667h; Reflux;76%
sodium phenylacetate
114-70-5

sodium phenylacetate

7-methoxy-2-oxo-1,2-dihydro-quinoline-3-carbaldehyde
101382-55-2

7-methoxy-2-oxo-1,2-dihydro-quinoline-3-carbaldehyde

7-Methoxy-3-phenyl-1-oxa-9-aza-anthracen-2-one

7-Methoxy-3-phenyl-1-oxa-9-aza-anthracen-2-one

Conditions
ConditionsYield
In acetic anhydride at 170 - 180℃; for 8h;75%
sodium phenylacetate
114-70-5

sodium phenylacetate

6,7-Dimethoxy-2-oxo-1,2-dihydro-quinoline-3-carbaldehyde
101382-56-3

6,7-Dimethoxy-2-oxo-1,2-dihydro-quinoline-3-carbaldehyde

6,7-Dimethoxy-3-phenyl-1-oxa-9-aza-anthracen-2-one

6,7-Dimethoxy-3-phenyl-1-oxa-9-aza-anthracen-2-one

Conditions
ConditionsYield
In acetic anhydride at 170 - 180℃; for 8h;75%
sodium phenylacetate
114-70-5

sodium phenylacetate

6-methyl-2-oxo-1,2-dihydroquinoline-3-carbaldehyde
101382-53-0

6-methyl-2-oxo-1,2-dihydroquinoline-3-carbaldehyde

6-Methyl-3-phenyl-1-oxa-9-aza-anthracen-2-one

6-Methyl-3-phenyl-1-oxa-9-aza-anthracen-2-one

Conditions
ConditionsYield
In acetic anhydride at 170 - 180℃; for 8h;73%
sodium phenylacetate
114-70-5

sodium phenylacetate

3-formyl-2-quinolone
91301-03-0

3-formyl-2-quinolone

3-Phenyl-1-oxa-9-aza-anthracen-2-one

3-Phenyl-1-oxa-9-aza-anthracen-2-one

Conditions
ConditionsYield
In acetic anhydride at 170 - 180℃; for 8h;73%
sodium phenylacetate
114-70-5

sodium phenylacetate

7-methyl-2-oxo-1,2-dihydroquinoline-3-carboxaldehyde
80231-41-0

7-methyl-2-oxo-1,2-dihydroquinoline-3-carboxaldehyde

7-Methyl-3-phenyl-1-oxa-9-aza-anthracen-2-one

7-Methyl-3-phenyl-1-oxa-9-aza-anthracen-2-one

Conditions
ConditionsYield
In acetic anhydride at 170 - 180℃; for 8h;73%
C17H12N2O4
1253853-75-6

C17H12N2O4

sodium phenylacetate
114-70-5

sodium phenylacetate

C25H16N2O4
1253853-82-5

C25H16N2O4

Conditions
ConditionsYield
With acetic anhydride at 170 - 180℃; for 8h;72%
[Cu2(μ2-OH)(μ-2,6-bis[(3-hydroxypropylimino)methyl]-4-methylphenol)(μ1,3-NO3)][Cu2(μ2-OH)(μ-2,6-bis[(3-hydroxypropylimino)methyl]-4-methylphenol)(μ-NO3)(H2O)](NO3)2 dihydrate

[Cu2(μ2-OH)(μ-2,6-bis[(3-hydroxypropylimino)methyl]-4-methylphenol)(μ1,3-NO3)][Cu2(μ2-OH)(μ-2,6-bis[(3-hydroxypropylimino)methyl]-4-methylphenol)(μ-NO3)(H2O)](NO3)2 dihydrate

sodium phenylacetate
114-70-5

sodium phenylacetate

[Cu4(μ4-O)(μ-2,6-bis[(3-hydroxypropylimino)methyl]-4-methylphenol)2(μ1,3-phenylacetate)4]
1428987-74-9

[Cu4(μ4-O)(μ-2,6-bis[(3-hydroxypropylimino)methyl]-4-methylphenol)2(μ1,3-phenylacetate)4]

Conditions
ConditionsYield
In methanol for 0.25h;71%
sodium phenylacetate
114-70-5

sodium phenylacetate

5-acetyl-2-benzoyl-6-hydroxy-3-methylbenzo[b]furan
106206-62-6

5-acetyl-2-benzoyl-6-hydroxy-3-methylbenzo[b]furan

2-benzoyl-3,5-dimethyl-6-phenyl-7H-furo<3,2-g><1>benzopyran-7-one

2-benzoyl-3,5-dimethyl-6-phenyl-7H-furo<3,2-g><1>benzopyran-7-one

Conditions
ConditionsYield
With acetic anhydride for 24h; Heating;70%
sodium phenylacetate
114-70-5

sodium phenylacetate

2-(p-methoxybenzoyl)-3-methyl-5-acetyl-6-hydroxybenzofuran
106206-63-7

2-(p-methoxybenzoyl)-3-methyl-5-acetyl-6-hydroxybenzofuran

2-(p-methoxybenzoyl)-3,5-dimethyl-6-phenyl-7H-furo<3,2-g><1>benzopyran-7-one
106536-43-0

2-(p-methoxybenzoyl)-3,5-dimethyl-6-phenyl-7H-furo<3,2-g><1>benzopyran-7-one

Conditions
ConditionsYield
With acetic anhydride for 24h; Heating;70%
sodium phenylacetate
114-70-5

sodium phenylacetate

2-phenylethanol
60-12-8

2-phenylethanol

Conditions
ConditionsYield
With CZYE medium (Biolife) In water for 24h; Colletotrichum gloeosporoides CBS 193.32;70%
2-methoxy-3-methylbenzaldehyde
824-42-0

2-methoxy-3-methylbenzaldehyde

sodium phenylacetate
114-70-5

sodium phenylacetate

8-methyl-3-phenyl-2H-chromen-2-one
95517-85-4

8-methyl-3-phenyl-2H-chromen-2-one

Conditions
ConditionsYield
In acetic anhydride at 180 - 190℃; for 5h;70%
sodium phenylacetate
114-70-5

sodium phenylacetate

2,2-dimethylhex-4-yn-3-one
71932-99-5

2,2-dimethylhex-4-yn-3-one

Phenyl-acetic acid (E)-5,5-dimethyl-4-oxo-hex-2-enyl ester

Phenyl-acetic acid (E)-5,5-dimethyl-4-oxo-hex-2-enyl ester

Conditions
ConditionsYield
With phenylacetic acid; triphenylphosphine In toluene at 80℃; for 24h; Addition;70%
sodium phenylacetate
114-70-5

sodium phenylacetate

Methyl 2-butynoate
23326-27-4

Methyl 2-butynoate

(E)-4-Phenylacetoxy-but-2-enoic acid methyl ester

(E)-4-Phenylacetoxy-but-2-enoic acid methyl ester

Conditions
ConditionsYield
With phenylacetic acid; triphenylphosphine In toluene at 80℃; for 24h; Addition;70%
sodium phenylacetate
114-70-5

sodium phenylacetate

3-formyl-4-methyl-2-quinoline
709014-40-4

3-formyl-4-methyl-2-quinoline

5-methyl-3-phenyl-2H-pyrano[2,3-b]quinolin-2-one

5-methyl-3-phenyl-2H-pyrano[2,3-b]quinolin-2-one

Conditions
ConditionsYield
With acetic anhydride at 170 - 180℃; for 8h; Perkin reaction;70%
sodium phenylacetate
114-70-5

sodium phenylacetate

6-methyl-2-oxo-4-phenyl-1,2-dihydro-quinoline-3-carbaldehyde
709014-39-1

6-methyl-2-oxo-4-phenyl-1,2-dihydro-quinoline-3-carbaldehyde

6-methyl-3,10-diphenyl-1-oxa-9-aza-anthracen-2-one

6-methyl-3,10-diphenyl-1-oxa-9-aza-anthracen-2-one

Conditions
ConditionsYield
With acetic anhydride at 170 - 180℃; for 8h; Perkin reaction;70%
sodium phenylacetate
114-70-5

sodium phenylacetate

2-oxo-4-p-tolyl-1,2-dihydro-quinoline-3-carbaldehyde
845536-14-3

2-oxo-4-p-tolyl-1,2-dihydro-quinoline-3-carbaldehyde

3-phenyl-10-p-tolyl-1-oxa-9-aza-anthracen-2-one

3-phenyl-10-p-tolyl-1-oxa-9-aza-anthracen-2-one

Conditions
ConditionsYield
With acetic anhydride at 170 - 180℃; for 8h; Perkin reaction;70%
sodium phenylacetate
114-70-5

sodium phenylacetate

4-(4-methoxy-phenyl)-2-oxo-1,2-dihydro-quinoline-3-carbaldehyde
845536-15-4

4-(4-methoxy-phenyl)-2-oxo-1,2-dihydro-quinoline-3-carbaldehyde

10-(4-methoxy-phenyl)-3-phenyl-1-oxa-9-aza-anthracen-2-one

10-(4-methoxy-phenyl)-3-phenyl-1-oxa-9-aza-anthracen-2-one

Conditions
ConditionsYield
With acetic anhydride at 170 - 180℃; for 8h; Perkin reaction;70%
sodium phenylacetate
114-70-5

sodium phenylacetate

6-chloro-2-oxo-4-phenyl-1,2-dihydro-quinoline-3-carbaldehyde
709014-38-0

6-chloro-2-oxo-4-phenyl-1,2-dihydro-quinoline-3-carbaldehyde

6-chloro-3,10-diphenyl-1-oxa-9-aza-anthracen-2-one

6-chloro-3,10-diphenyl-1-oxa-9-aza-anthracen-2-one

Conditions
ConditionsYield
With acetic anhydride at 170 - 180℃; for 8h; Perkin reaction;70%
C16H10N2O4
197230-68-5

C16H10N2O4

sodium phenylacetate
114-70-5

sodium phenylacetate

C24H14N2O4
1253853-84-7

C24H14N2O4

Conditions
ConditionsYield
With acetic anhydride at 170 - 180℃; for 8h;70%

114-70-5Related news

Regular ArticleExpression of Transcription Factors During Sodium phenylacetate (cas 114-70-5) Induced Erythroid Differentiation in K562 Cells☆08/25/2019

ABSTRACT: During 15 days of treatment of K562 cells with sodium phenylacetate, we observed an increase in the cellular hemoglobin concentration with a similar increase in the expression of γ-globin mRNA. Morphological studies demonstrated characteristic features of erythroid differentiation and...detailed

Pharmacokinetics of Sodium phenylacetate (cas 114-70-5) and sodium benzoate following intravenous administration as both a bolus and continuous infusion to healthy adult volunteers08/22/2019

Background: Ammunol® (sodium phenylacetate/sodium benzoate) is an intravenously administered, investigational drug used for the treatment of acute hyperammonemia in infants, children, and adults with urea cycle enzyme deficiencies. A pharmacokinetic study of sodium phenylacetate/sodium benzoate ...detailed

114-70-5Relevant articles and documents

Vibrational spectroscopic studies of cocrystals and salts. 3. cocrystal products formed by benzenecarboxylic acids and their sodium salts

Brittain, Harry G.

, p. 1990 - 2003 (2010)

X-ray powder diffraction, differential scanning calorimetry, infrared absorption spectroscopy, and Raman spectroscopy have been used to study the phenomenon of salt formation in four benzenecarboxylic acids (benzoic acid, phenylacetic acid, hydrocinnamic acid, and 4-phenylbutanoic acid), and in the 1:1 stoichiometric products formed by the cocrystallization of a free acid and a sodium salt. Assignments were derived for the observed peaks in both infrared absorption and Raman spectra of the reactants and their products. In all instances, it was observed that the energy of the antisymmetric stretching mode of the carbonyl group of the free benzenecarboxylic acid invariably shifted to higher energies when that acid formed a cocrystal with a sodium salt of another benzenecarboxylic acid. In addition, the symmetric stretching mode of the benzenecarboxylic acid carbonyl group disappeared in the Raman spectrum of its sodium salt and was also absent in the Raman spectrum of the cocrystal product. It was also found that the antisymmetric carboxylate anion stretching mode, the symmetric carboxylate anion stretching mode, the out-of-plane carboxylate deformation mode, and the vibrational modes associated with the phenyl ring and alkane side chains were not useful spectroscopic tools to differentiate cocrystal and sodium salt, as the observed differences of these vibrational modes did not exhibit significantly consistent differences between the various forms.

Novel 3-arylfuran-2(5H)-one-fluoroquinolone hybrid: Design, synthesis and evaluation as antibacterial agent

Wang, Xu-Dong,Wei, Wei,Wang, Peng-Fei,Tang, Yun-Tao,Deng, Rui-Cheng,Li, Biao,Zhou, Sha-Sha,Zhang, Jing-Wen,Zhang, Lei,Xiao, Zhu-Ping,Ouyang, Hui,Zhu, Hai-Liang

, p. 3620 - 3628 (2014/07/07)

3-Arylfuran-2(5H)-one, a novel antibacterial pharmacophore targeting tyrosyl-tRNA synthetase (TyrRS), was hybridized with the clinically used fluoroquinolones to give a series of novel multi-target antimicrobial agents. Thus, twenty seven 3-arylfuran-2(5H)-one-fluoroquinolone hybrids were synthesized and evaluated for their antimicrobial activities. Some of the hybrids exhibited merits from both parents, displaying a broad spectrum of activity against resistant strains including both Gram-negative and Gram-positive bacteria. The most potent compound (11) in antibacterial assay shows MIC50 of 0.11 μg/mL against Multiple drug resistant Escherichia coli, being about 51-fold more potent than ciprofloxacin. The enzyme assays reveal that 11 is a potent multi-target inhibitor with IC50 of 1.15 ± 0.07 μM against DNA gyrase and 0.12 ± 0.04 μM against TyrRS, respectively. Its excellent inhibitory activities against isolated enzymes and intact cells strongly suggest that 11 deserves to further research as a novel antibiotic.

Spectroscopic and theoretical study on alkali metal phenylacetates

Regulska,?wis?ocka,Samsonowicz,Lewandowski

, p. 173 - 180 (2013/07/05)

The influence of lithium, sodium, potassium, rubidium and cesium cations on the electronic system of phenylacetic acid was studied. The FT-IR, FT-Raman and 1H and 13C NMR spectra were recorded for studied compounds. Characteristic sh

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