PHENACETURIC ACID

Base Information

• Chemical Name: PHENACETURIC ACID
• CAS No.: 500-98-1
• Molecular Formula: C10H11 N O3
• Molecular Weight: 193.202
• Hs Code.: 2924299090
• European Community (EC) Number: 207-916-1
• NSC Number: 408424,92778
• UNII: O134PDX2SP
• DSSTox Substance ID: DTXSID40198177
• Nikkaji Number: J11.682C
• Wikidata: Q26699299
• Metabolomics Workbench ID: 37446
• ChEMBL ID: CHEMBL458497
• Mol file: 500-98-1.mol

Synonyms:Glycine,N-(phenylacetyl)- (8CI,9CI); Phenaceturic acid (6CI); N-(Phenylacetyl)glycine;N-Phenacetylglycine; NSC 408424; NSC 92778; Phenacetylglycine;Phenylacetylglycine

Chemical Property of PHENACETURIC ACID

Chemical Property:

• Vapor Pressure: 6.93E-10mmHg at 25°C
• Melting Point: 144°C
• Boiling Point: 476.5°Cat760mmHg
• PKA: 3.48±0.10(Predicted)
• Flash Point: 242°C
• PSA: 66.40000
• Density: 1.239g/cm³
• LogP: 0.82080
• Storage Temp.: -15°C
• Solubility.: Methanol (Slightly)
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 193.07389321
• Heavy Atom Count: 14
• Complexity: 209

Purity/Quality:

98%,99%, ^*data from raw suppliers

Phenylacetyl glycine ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC(=O)NCC(=O)O
• Uses: A metabolite of carboxylic acid.

Technology Process of PHENACETURIC ACID

There total 24 articles about PHENACETURIC ACID which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 83.0%

N-(phenylacetyl)oxysuccinimide (23776-85-4) + glycine (56-40-6,18875-39-3,25718-94-9) → phenylacetylglycine (500-98-1)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; at 0 - 5 ℃; for 6h;

DOI:10.1021/jm00383a013

Reference yield: 81.0%

glycine (56-40-6,18875-39-3,25718-94-9) + phenylacetyl chloride (103-80-0) → phenylacetylglycine (500-98-1)

Guidance literature:

glycine; phenylacetyl chloride; With sodium hydroxide; In acetone; at 20 ℃; for 6h; Cooling with ice;

With hydrogenchloride; In water; pH=2 - 3;

DOI:10.1016/j.bmc.2012.04.012

Reference yield: 70.0%

N-Carboxymethyl-phenylessigsaeure-amidoxim (28268-03-3) → phenylacetylglycine (500-98-1)

Guidance literature:

With hydrogenchloride; sodium nitrite; In 1,4-dioxane; at 0 ℃; for 1h;

upstream raw materials:

phenylacetic acid

N-(phenylacetyl)glycine ethyl ester

4-methylisopropylbenzene

methyl benzylpenillonate

Downstream raw materials:

methyl 2-(2-phenylacetamido)acetate

4-benzylidene-2-methyl-2-oxazolin-5-one

2-benzyl-4-ethoxymethylene-5-oxazolone

6β-[(N-phenylacetyl-glycyl)-amino]-penicillanic acid

Refernces

• 1、 -. "GRANZYME B DIRECTED IMAGING AND THERAPY". Page/Page column 82; 97. . Retrieved 2019/09/04.
• 2、 Guranda, Dorel T.,Ushakov, Gennadij A.,Yolkin, Petr G.,Svedas, Vytas K.. "Thermodynamics of phenylacetamides synthesis: Linear free energy relationship with the pK of amine". experimental part. p. 48 - 53. Retrieved 2012/05/19.