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69316-08-1

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69316-08-1 Usage

Chemical Properties

BEIGE FLAKY CRYSTALS

Uses

Methyl 4-(cyanoacetyl)benzoate may be used in chemical synthesis.

General Description

Methyl 4-(cyanoacetyl)benzoate (Methyl 4-(2-cyanoacetyl)benzoate) is an ester. Its various physical properties such as density, refractive index, melting point and boiling point have been reported.

Check Digit Verification of cas no

The CAS Registry Mumber 69316-08-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 6,9,3,1 and 6 respectively; the second part has 2 digits, 0 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 69316-08:
(7*6)+(6*9)+(5*3)+(4*1)+(3*6)+(2*0)+(1*8)=141
141 % 10 = 1
So 69316-08-1 is a valid CAS Registry Number.
InChI:InChI=1/C11H9NO3/c1-15-11(14)9-4-2-8(3-5-9)10(13)6-7-12/h2-5H,6H2,1H3

69316-08-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name Methyl 4-(cyanoacetyl)benzoate

1.2 Other means of identification

Product number -
Other names methyl 4-(2-cyanoacetyl)benzoate

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:69316-08-1 SDS

69316-08-1Relevant articles and documents

Catalytic Activation of 1-Cyano-3,3-dimethyl-3-(1H)-1,2-benziodoxole with B(C6F5)3 Enabling the Electrophilic Cyanation of Silyl Enol Ethers

Nagata, Takaya,Matsubara, Hiroki,Kiyokawa, Kensuke,Minakata, Satoshi

supporting information, p. 4672 - 4675 (2017/09/12)

The Lewis acidic activation of a hypervalent iodine reagent containing a transferable cyano group, 1-cyano-3,3-dimethyl-3-(1H)-1,2-benziodoxole (CDBX), with B(C6F5)3, to achieve the catalytic electrophilic cyanation of silyl enol ethers is presented. Mechanistic studies indicate that CDBX is activated through coordination of its cyano group to B(C6F5)3, thus enabling the electrophilic cyanation reaction to occur.

Structure-based design of novel potent protein kinase CK2 (CK2) inhibitors with phenyl-azole scaffolds

Hou, Zengye,Nakanishi, Isao,Kinoshita, Takayoshi,Takei, Yoshinori,Yasue, Misato,Misu, Ryosuke,Suzuki, Yamato,Nakamura, Shinya,Kure, Tatsuhide,Ohno, Hiroaki,Murata, Katsumi,Kitaura, Kazuo,Hirasawa, Akira,Tsujimoto, Gozoh,Oishi, Shinya,Fujii, Nobutaka

, p. 2899 - 2903 (2012/06/01)

Protein kinase CK2 (CK2) is a ubiquitous serine/threonine protein kinase for hundreds of endogenous substrates. CK2 has been considered to be involved in many diseases, including cancers. Herein we report the discovery of a novel ATP-competitive CK2 inhibitor. Virtual screening of a compound library led to the identification of a hit 2-phenyl-1,3,4-thiadiazole compound. Subsequent structural optimization resulted in the identification of a promising 4-(thiazol-5-yl)benzoic acid derivative.

Palladium-catalyzed carbonylation with Mo(CO)for the synthesis of benzoylacetonitriles

Pyo, Ayoung,Park, Ahbyeol,Jung, Hyunmin,Lee, Sunwoo

supporting information, p. 2885 - 2888 (2012/10/29)

Benzoylacetonitriles were synthesized by the palladium-catalyzed carbonylation of aryl iodides and trimethylsilylacetonitrile using Mo(CO)as a carbon monoxide source. Pd(PPhCland CuFwere employed as the catalyst and activator, respectively. A variety of aryl iodides bearing alkyl, alkoxy, fluoro, chloro, bromo, nitrile, ester, and ketone groups afforded the corresponding benzoylacetonitriles in moderate to good yields. Georg Thieme Verlag Stuttgart ? New York.

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