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2-(benzoylthio)ethyl benzoate is a chemical compound with the molecular formula C17H14O3S. It is an organic ester derived from benzoic acid and 2-(benzoylthio)ethanol. 2-(benzoylthio)ethyl benzoate is characterized by the presence of a benzoyl group (C6H5CO-) attached to a sulfur atom, which is then connected to an ethyl group (CH2CH2-). The other end of the ethyl group is esterified with another benzoic acid molecule, forming an ester linkage. 2-(benzoylthio)ethyl benzoate is a colorless to pale yellow liquid with a mild, aromatic odor. It is used in the synthesis of various pharmaceuticals, agrochemicals, and other specialty chemicals due to its unique chemical structure and reactivity.

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  • 1226-99-9 Structure
  • Basic information

    1. Product Name: 2-(benzoylthio)ethyl benzoate
    2. Synonyms: 2-(benzoylthio)ethyl benzoate
    3. CAS NO:1226-99-9
    4. Molecular Formula:
    5. Molecular Weight: 286.351
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1226-99-9.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: N/A
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 2-(benzoylthio)ethyl benzoate(CAS DataBase Reference)
    10. NIST Chemistry Reference: 2-(benzoylthio)ethyl benzoate(1226-99-9)
    11. EPA Substance Registry System: 2-(benzoylthio)ethyl benzoate(1226-99-9)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 1226-99-9(Hazardous Substances Data)

1226-99-9 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 1226-99-9 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,2,2 and 6 respectively; the second part has 2 digits, 9 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 1226-99:
(6*1)+(5*2)+(4*2)+(3*6)+(2*9)+(1*9)=69
69 % 10 = 9
So 1226-99-9 is a valid CAS Registry Number.

1226-99-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(benzoylthio)ethyl benzoate

1.2 Other means of identification

Product number -
Other names .1-Benzoylmercapto-2-benzoyloxy-aethan

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:1226-99-9 SDS

1226-99-9Downstream Products

1226-99-9Relevant articles and documents

Facile esterification of alcohols with 2-Acyl-4,5-dichloropyridazin-3(2 H)-ones under Friedel-Crafts conditions

Kim, Bo Ram,Sung, Gi Hyeon,Ryu, Ki Eun,Yoon, Hyo Jae,Lee, Sang-Gyeong,Yoon, Yong-Jin

, p. 1909 - 1915 (2014/08/18)

This paper describes the esterification of aromatic and aliphatic alcohols by using 2-acyl-4,5-dichloropyridazin-3(2H)-ones as an acyl source under Friedel-Crafts conditions. Twelve alcohols were reacted with four 2-acyl-4,5-dichloropyridazin-3(2H)-ones in the presence of AlCl3 in tetrahydrofuran at room temperature to give the corresponding esters in moderate to excellent yields. Thus, 2-acylpyridazin-3(2H)-ones serve as good and atom-economic acyl sources for the esterification of aromatic alcohols under Friedel-Crafts conditions, representing a rapid, practical, and efficient method of esterification. Georg Thieme Verlag Stuttgart. New York.

Rapid and Ecofriendly Esterification of Alcohols with 2-Acylpyridazinones

Kim, Bo Ram,Sung, Gi Hyeon,Ryu, Ki Eun,Kim, Jeum-Jong,Yoon, Yong-Jin

, p. 3410 - 3414 (2014/01/06)

Atom-economical esterification is of great importance in green chemistry. In this work, we demonstrated the catalyst and additive free esterification of alcohols by their reaction with 2-acyl-4,5-dichloropyridazin-3(2H)- ones without solvent at 100 oC. Aliphatic and aromatic alcohols were converted into the corresponding esters in good to excellent yields. It is noteworthy that the reaction is solvent-free, atom-economic, easy-workup, and rapid and that the process is inexpensive.

EFFECTS OF HETEROATOM SUBSTITUENTS ON THE PROPERTIES OF 1,2-DIOXETANES

Handley, Richard S.,Stern, Alan J.,Schaap, A. Paul

, p. 3183 - 3186 (2007/10/02)

Nitrogen and sulfur-substituted dioxetanes exhibit dramatically lower activation energies for decomposition compared to the corresponding oxygen-bearing dioxetane.A mechanism involving intramolecular electron-transfer processes is proposed for the cleavage of these unstable dioxetanes.

ACTIVATION OF CARBOXYL GROUPS BY DIPHENYL 2-OXO-3-OXAZOLINYLPHOSPHONATE. FACILE PREPARATION OF VERSATILE REAGENTS, 3-ACYL-2-OXAZOLONES

Kunieda, Takehisa,Higuchi, Tsunehiko,Abe, Yoshihiro,Hirobe, Masaaki

, p. 3253 - 3260 (2007/10/02)

Synthetic utility of the 2-oxazolone moiety as an excellent new leaving group is described.Based on such a function of the heterocycles, diphenyl 2-oxo-3-oxazolinylphosphonate has been newly introduced as a carboxyl-activating reagent which permits a facile direct preparation of 3-acyl-2-oxazolones and amides including peptides from a wide variety of carboxylic acids.The 3-acyl-2-oxazolides also serve as versatile reactive agents for highly chemoselective acyl-transfer to the nucleophilic species such as amines, alcohols and thiols, providing convenient and high-yield routes to amides, esters and thiol esters under mild conditions.They are also useful intermediates for ketones and alcohols.

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