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577-56-0

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577-56-0 Usage

Chemical Properties

Yellow Solid

Uses

Different sources of media describe the Uses of 577-56-0 differently. You can refer to the following data:
1. A common component of hair dyes.
2. 2-Acetylbenzoic acid is used as a component of hair dyes. It is used as an intermediate for pharmaceutical, cosmetics, agrochemical and food industries.

Synthesis Reference(s)

The Journal of Organic Chemistry, 40, p. 2996, 1975 DOI: 10.1021/jo00908a046

Purification Methods

It crystallises from *C6H6 and H2O (15g/100mL). The oxime has m 156-157o, and the 2,4-dinitrophenylhydrazone has m 185-186o(needles from EtOH). [Yale J Am Chem Soc 69 1547 1947, Panetta & Miller Synthesis 43 1977, Beilstein 10 H 690, 10 I 330, 10 II 479, 10 III 3025, 10 IV2766.]

Check Digit Verification of cas no

The CAS Registry Mumber 577-56-0 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 5,7 and 7 respectively; the second part has 2 digits, 5 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 577-56:
(5*5)+(4*7)+(3*7)+(2*5)+(1*6)=90
90 % 10 = 0
So 577-56-0 is a valid CAS Registry Number.
InChI:InChI=1/C9H8O3/c1-9(11)7-5-3-2-4-6(7)8(10)12-9/h2-5,11H,1H3

577-56-0 Well-known Company Product Price

  • Brand
  • (Code)Product description
  • CAS number
  • Packaging
  • Price
  • Detail
  • TCI America

  • (A1075)  2-Acetylbenzoic Acid  >98.0%(T)

  • 577-56-0

  • 5g

  • 350.00CNY

  • Detail
  • TCI America

  • (A1075)  2-Acetylbenzoic Acid  >98.0%(T)

  • 577-56-0

  • 25g

  • 1,200.00CNY

  • Detail
  • Alfa Aesar

  • (A10216)  2-Acetylbenzoic acid, 98+%   

  • 577-56-0

  • 10g

  • 501.0CNY

  • Detail
  • Alfa Aesar

  • (A10216)  2-Acetylbenzoic acid, 98+%   

  • 577-56-0

  • 50g

  • 1990.0CNY

  • Detail
  • Alfa Aesar

  • (A10216)  2-Acetylbenzoic acid, 98+%   

  • 577-56-0

  • 250g

  • 4824.0CNY

  • Detail

577-56-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-Acetylbenzoic acid

1.2 Other means of identification

Product number -
Other names Benzoic acid,2-acetyl

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:577-56-0 SDS

577-56-0Relevant articles and documents

Ground and excited state hydrogen atom transfer reactions and cyclization of 2-acetylbenzoic acid

Santos,Vargas,Moreno,Manzano,Lluch,Douhal

, p. 9331 - 9341 (2004)

We present experimental and theoretical studies of the ring-chain tautomerism (H-atom transfer and cyclization) for 2-acetylbenzoic acid at both ground and electronically first excited states. 1H and 13C NMR studies in solution confirm the existence of equilibrium between the open and ring structures at the ground state, with the ring one being dominant (~90%). Temperature-dependent 1H NMR experiments allowed obtaining the thermodynamic and kinetic parameters at the coalescence temperature (380 K). Fluorescence measurements disclose the involvement of highly efficient nonradiative processes in agreement with the theoretical data. Electronic calculations for the ground state give additional information on the different conformers of the open tautomer. In agreement with the experiment the most stable structure is of the closed ring tautomer, and it is obtained after additional internal rotations of the -COOH and -CO(CH3) fragments. Intrinsic reaction coordinate calculations indicate that the ring formation/breaking and the H-atom transfer are taking place in a concerted but not synchronous manner. At S1 the most stable form is the open one, for which different conformers are also found. The influence of the solvent is also accounted for through a model that considers the solvent as a continuum at both the ground and excited electronic states. No major differences were observed when comparing both gas and condensed phase results, so calculations of the isolated molecule should give a picture of the reaction which is experimentally observed in solution.

Synthesis of dibenzocycloketones by acyl radical cyclization from aromatic carboxylic acids using methylene blue as a photocatalyst

Jiang, Hongshuo,Mao, Guijie,Wu, Hongfeng,An, Qi,Zuo, Minghui,Guo, Weihao,Xu, Chunzhao,Sun, Zhizhong,Chu, Wenyi

supporting information, p. 5368 - 5373 (2019/10/11)

An efficient intramolecular radical cyclization reaction via photoredox catalysis was developed for the synthesis of dibenzocycloketone derivatives using methylene blue as a photosensitizer. This strategy could be widely used to synthesize large heterocycles due to the unique reactivity of phosphoranyl radicals formed by a polar/SET crossover between an aromatic carboxylic acid and a phosphine radical cation. Attractive features of this process include generation of an acyl radical by an inexpensive and metal-free photocatalyst, which effectively undergoes a cyclization process.

Aerobic Photooxidative Synthesis of β-Alkoxy Monohydroperoxides Using an Organo Photoredox Catalyst Controlled by a Base

Asano, Yuya,Nagasawa, Yoshitomo,Yamaguchi, Eiji,Itoh, Akichika

supporting information, p. 409 - 412 (2018/02/21)

Transition-metal-free synthesis of β-alkoxy monohydroperoxides via aerobic photooxidation using an acridinium photocatalyst was developed. This method enables the synthesis of some novel hydroperoxides. The peroxide source is molecular oxygen, which is cost-effective and atomically efficient. Magnesium oxide plays an important role as a base in the catalytic system.

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