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2835-06-5

2835-06-5 Structure

2835-06-5 Structure
IdentificationMore
[Name]

2-Amino-2-phenylacetic acid
[CAS]

2835-06-5
[Synonyms]

(+/-)-ALPHA-AMINOPHENYLACETIC ACID
AMINO-PHENYL-ACETIC ACID
DL-2-AMINOPHENYLACETIC ACID
DL-2-PHENYLGLYCINE
DL-A-AMINOPHENYLACETIC ACID
DL-ALPHA-AMINOPHENYLACETIC ACID
DL-ALPHA-PHENYLAMINOACETIC ACID
DL-ALPHA-PHENYLGLYCINE
DL-A-PHENYLGLYCINE
DL-PHENYLGLYCINE
H-DL-(PHENYL)GLY-OH
H-DL-PHG-OH
LABOTEST-BB LT00005726
PHENYLGLYCINE(D,L-)
RARECHEM AK ML 0501
(.+/-.)-alpha-Phenylglycine
(+/-)-benzeneaceticaci
.alpha.-amino-,(+-)-Benzeneaceticacid
-Aminobenzeneaceticacid
Benzeneacetic acid, alpha-amino-, (±
[EINECS(EC#)]

220-608-1
[Molecular Formula]

C8H9NO2
[MDL Number]

MFCD00064402
[Molecular Weight]

151.16
[MOL File]

2835-06-5.mol
Chemical PropertiesBack Directory
[Appearance]

white amorphous powder
[Melting point ]

290 °C (subl.)(lit.)
[alpha ]

[α]D20-0.5~+0.5゜ (c=5, dil. HCl)
[Boiling point ]

273.17°C (rough estimate)
[density ]

1.2023 (rough estimate)
[refractive index ]

1.5810 (estimate)
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[solubility ]

almost transparency in Sodium hydroxide solution
[form ]

Crystalline Powder
[pka]

1.94±0.10(Predicted)
[color ]

White to off-white
[Water Solubility ]

115g/L(100 ºC)
[Merck ]

14,7291
[BRN ]

3197862
[InChIKey]

ZGUNAGUHMKGQNY-UHFFFAOYSA-N
[CAS DataBase Reference]

2835-06-5(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzeneacetic acid, «alpha»-amino-, (.+/-.)-(2835-06-5)
[EPA Substance Registry System]

2835-06-5(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Hazard Codes ]

F,C
[Risk Statements ]

R11:Highly Flammable.
R34:Causes burns.
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S16:Keep away from sources of ignition-No smoking .
[WGK Germany ]

3
[TSCA ]

Yes
[HS Code ]

29224999
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium cyanide-->4-Chlorobenzaldehyde-->Glyoxylic acid
[Preparation Products]

1-Methyl-3-phenylpiperazine-->Fmoc-L-phenylglycine-->(S)-(+)-N-(3,5-Dinitrobenzoyl)-alpha-phenylglycine-->5-Phenylhydantoin-->Amino-cyclohexyl-acetic acid-->2-Bromo-2-phenylacetic acid-->2-[(4-methoxyphenyl)formamido]-2-phenylacetic acid-->Benzeneacetic acid, α-[(2-furanylcarbonyl)amino]--->(2-Oxo-pyrrolidin-1-yl)-phenyl-acetic acid
Hazard InformationBack Directory
[Description]

2-Amino-2-phenylacetic acid is a natural compound that has been identified as a selective inhibitor of cyclooxygenase 2 (COX-2), and it exhibits antiinflammatory activity. It has been shown to inhibit COX-2 at low concentrations and to be less potent than aspirin in inhibiting COX-1. It is also an amide, with a molecular weight of 296. In order to determine the structure of it, XRD data was collected from the monosodium salt form of the compound. The ester hydrochloride form was used for enzyme activity assays because it is more soluble in water than the free base form. The synthesis of 2-Amino-2-phenylacetic acid was achieved through a two step process involving amide formation and hydrolysis.
[Chemical Properties]

white amorphous powder
[Uses]

DL-α-Phenylglycine is used as a reagent in the synthesis of benzoquinone-amino acid conjugates which have antibacterial activity.
[Definition]

ChEBI: An amino acid with a structure in which a phenyl ring is bonded to the alpha-carbon of glycine.
[Synthesis Reference(s)]

Organic Syntheses, Coll. Vol. 3, p. 84, 1955
Synthetic Communications, 2, p. 423, 1972 DOI: 10.1080/00397917208081791
[reaction suitability]

reaction type: solution phase peptide synthesis
[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

2-Amino-2-phenylacetic acid(2835-06-5)MS
2-Amino-2-phenylacetic acid(2835-06-5)1HNMR
2-Amino-2-phenylacetic acid(2835-06-5)IR1
2-Amino-2-phenylacetic acid(2835-06-5)IR2
2-Amino-2-phenylacetic acid(2835-06-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

DL-alpha-Phenylglycine, 99%(2835-06-5)
[Alfa Aesar]

DL-2-Phenylglycine, 98%(2835-06-5)
[Sigma Aldrich]

2835-06-5(sigmaaldrich)
[TCI AMERICA]

DL-2-Phenylglycine,>98.0%(T)(2835-06-5)
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