Glycine,N-(4-methylbenzoyl)-

CAS

27115-50-0

Catalog Number

ACM27115500

Category

Other Products

Molecular Weight

193.2

Molecular Formula

C₁₀H₁₁NO₃

MSDS COA Spec Sheet

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Specification

Synonyms

N-(4-Methylbenzoyl)glycine; N-(p-Toluoyl)glycine; 4-Methylhippuric acid; p-Toluric acid; N-(4-Methylbenzoyl)glycine,p-Toluric acid; 2-[(4-methylbenzoyl)amino]acetic acid; 4-methylbenzoylglycine; 4-Methylhippuric Acid; p-Methylhippuric acid;

IUPAC Name

2-[(4-methylbenzoyl)amino]acetic acid

Canonical SMILES

CC1=CC=C(C=C1)C(=O)NCC(=O)O

InChI Key

NRSCPTLHWVWLLH-UHFFFAOYSA-N

Boiling Point

435.8ºC at 760mmHg

Melting Point

163-165ºC(lit.)

Flash Point

217.3ºC

Density

1.229g/cm³

Appearance

White crystalline powder

EC Number

248-231-8

Exact Mass

193.07400

Hazard Statements

Xi: Irritant;

H-Bond Acceptor

H-Bond Donor

Safety Description

37/39-26

WGK Germany

Upstream Synthesis Route 1

122081-29-2

27115-50-0

Reference: [1]Klages; Haack
[Chemische Berichte, 1903, vol. 36, p. 1648]

Downstream Synthesis Route 1

64-17-5
27115-50-0

122081-29-2

Reference: [1]Ruegheimer; Fehlhaber
[Justus Liebigs Annalen der Chemie, 1900, vol. 312, p. 74]

Downstream Synthesis Route 2

27115-50-0
100-52-7

72615-38-4

Reference: [1]Beloglazkina, Anastasia A.; Wobith, Birgit; Barskaia, Elena S.; Zefirov, Nikolay A.; Majouga, Alexander G.; Beloglazkina, Elena K.; Zyk, Nikolay V.; Kuznetsov, Sergei A.; Zefirova, Olga N.
[Medicinal Chemistry Research, 2016, vol. 25, # 6, p. 1239 - 1249]
[2]Pfleger; Markert
[Chemische Berichte, 1957, vol. 90, p. 1482,1487]
[3]Perni, Robert B.; Conway, Samuel C.; Ladner, Stephanie K.; Zaifert, Katie; Otto, Michael J.; King, Robert W.
[Bioorganic and Medicinal Chemistry Letters, 2000, vol. 10, # 23, p. 2687 - 2690]

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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