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Benzoic acid, 2-[(cyanothioxomethyl)amino]-, methyl ester is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

169778-78-3

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169778-78-3 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 169778-78-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,6,9,7,7 and 8 respectively; the second part has 2 digits, 7 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 169778-78:
(8*1)+(7*6)+(6*9)+(5*7)+(4*7)+(3*8)+(2*7)+(1*8)=213
213 % 10 = 3
So 169778-78-3 is a valid CAS Registry Number.

169778-78-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name methyl 2-[(cyanocarbothioyl)amino]benzoate

1.2 Other means of identification

Product number -
Other names Benzoic acid,2-[(cyanothioxomethyl)amino]-,methyl ester

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:169778-78-3 SDS

169778-78-3Relevant academic research and scientific papers

Synthesis of novel 2,3-substituted quinazolin-4-ones by condensation of alkyl or aromatic diamines with 5-(N-arylimino)-4-chloro-5H-1,2,3-dithiazoles

de Fatima Pereira, Maria,Thiéry, Valérie,Besson, Thierry

, p. 847 - 854 (2007/10/03)

The work described in this paper is a further example of the utility of Appel's salt in the conception of novel heterocyclic rings. We confirmed that primary alkyldiamines may react easily with the methyl N-(4-chloro-5H-1,2,3-dithiazol-5-ylidene)-anthrani

Reactions of Isocyanates with Methyl N-(Cyanothioformyl)anthranilate

Deck,Papadopoulos,Smith

, p. 885 - 893 (2007/10/03)

The triethylamine-catalyzed reactions of methyl N-(cyanothioformyl)anthranilate (1) with isocyanates result in cyclization involving the cyano group to form methyl 2-(4-imino-2-oxo-3-substituted-5-thioxoimidazolidin-1-yl)benzoates (4). Ring closure at the ester carbonyl to form 3-aryl-3,4-dihydro-4-oxoquinazoline-2-carbonitriles (8) is observed when the S-methyl derivative of 1 is allowed to react with aromatic amines.

A short synthesis of quinazolinocarboline alkaloids rutaecarpine, hortiacine, euxylophoricine A and euxylophoricine D from methyl N-(4-chloro-5H-1,2,3-dithiazol-5-ylidene)anthranilates

Mohanta, Pramod K.,Kim, Kyongtae

, p. 3993 - 3996 (2007/10/03)

Reactions of methyl N-(4-chloro-5H-1,2,3-dithiazol-5-ylidene)anthranilates with tryptamine at room temperature produced 2-cyano-3-[2-(indol-3-yl)ethyl]-4(3H)-quinazolinones, which underwent cyclization on heating with TFAA/HCl(g) to afford quinazolinocarboline alkaloids rutaecarpine (1a), hortiacine (1b), euxylophoricine A (1c) and euxylophoricine D (1d) in excellent yields.

A Facile Synthesis of 3-Substituted 2-Cyanoqmnazolin-4(3H)-ones and 3-Alkyl-2-cyanothieno[3,2-d]pyrimidin-4(3H)-ones via 1,2,3-Dithiazoles

Lee, Hyi-Seung,Chang, Yong-Goo,Kim, Kyongtae

, p. 659 - 668 (2007/10/03)

The reaction of methyl anthranilate with 4,5-dichloro-l,2,3-dithiazolium chloride (Appel's salt) in the presence of pyridine (2 equivalents) in dichloromethane at room temperature gave methyl N-(4-chloro-5H-l,2,3-dithiazol-5-ylidene)anthranilate (3a) (50% yield), which reacted with sterically less hindered primary alkylamines to give directly 3-alkyl-2-cyanoquinazolin-4(3H)-ones 5 in moderate to good yields. With tertbutylamine, N-(2-methoxycarbonylphenyl)iminocyanomethyl N-(tert-butyl) disulfide 7 and methyl 2-(N-cyanothioformamido)anthranilate (8) were isolated in 33% and 59% yields, respectively. The cyano group of quinazoline 5a (R = CH3) is readily displaced by various nucleophiles to give 2-substituted quinazolinones 11-19, which indicates that compounds 5 can be utilized as starting materials for the synthesis of new 2-substituted quinazolines. Similarly 3-alkyl-2-cyanothieno[3,2,-d]pyrimidin-4(3H)-ones 22 were prepared from methyl 3-[N-(4-chloro-5H-l,2,3-dithiazol-5-ylidene)]-2-thiophencarboxylate (21) in moderate to good yields.

Antibacterial evaluation of novel N-arylimino-1,2,3-dithiazoles and N-arylcyanothioformamides

Cottenceau, Gilles,Besson, Thierry,Gautier, Valerie,Rees, Charles W.,Pons, Anne-Marie

, p. 529 - 532 (2007/10/03)

N-Aryl-1,2,3-dithiazoles 2 and the corresponding N-arylcyanothioformamides 3 have been synthesized via 4,5-dichloro-1,2,3-dithiazole derivatives, and their antibacterial activity measured; the dithiazoles are significantly active against Gram-positive bacteria.

1,2,3-Dithiazoles and new route to 3,1-benzoxazin-4-ones, 3,1-benzothiazin-4-ones and N-arylcyanothioformamides

Besson, Thierry,Emayan, Kumaraswamy,Rees, Charles W.

, p. 2097 - 2102 (2007/10/02)

Treatment of methyl anthranilate with 4,5-dichloro-1,2,3-dithiazolium chloride 3 in dichloromethane ar room temperature, followed by addition of pyridine, gave the amino derivative 7 (R = Me) as expected; anthranilic acid, however, gave 4-oxo-4H-3,1-benzoxazine-2-carbonitrile 5.If triphenylphosphine was added to the reaction mixture instead of pyridine, methyl anthranilate gave methyl N-(cyanothioformyl)anthranilate 12 (X = o-CO2Me) whilst anthranilic acid gave 4-oxo-4H-benzo-3,1-thiazine-2-carbonitrile 6.These differences are explained mechanistically.When anthranilic acid was treated with the dithiazolium chloride 3 without the addition of pyridine, the delicate imino derivative 4 of the free carboxylic acid could be isolated (60percent).This when heated in boiling toluene gave the benzoxazinone 5 quantitatively, and with triphenylphosphine at room temperature it gave the benzothiazinone 6 quantitatively.These reactions provide a good route to benzo substituted 2-cyanooxazinones and 2-cyanothiazinones from the corresponding anthranilic acids.With triphenylphosphine in dichloromethane at room temperature the imines 11 in general (i.e. without an o-CO2H group) gave the corresponding N-arylcyanothioformamides 12 in very high yields, thus providing a good route to these compounds in two mild steps from the corresponding anilines.

3,1-Benzoxazin-4-ones, 3,1-Benzothiazin-4-ones and N-Arylcyanothioformamides

Besson, Thierry,Emayan, Kumaraswamy,Rees, Charles W.

, p. 1419 - 1420 (2007/10/02)

Anthranilic acid and 4,5-dichloro-1,2,3-dithiazolium chloride 1 give the delicate dithiazoloimino carboxylic acid 8 which on mild thermolysis gives 2-cyano-3,1-benzoxazin-4-one 6 and with triphenylphosphine gives 2-cyano-3,1-benzothiazin-4-one 7, both quantitatively; in general N-aryliminodithiazoles 2 with triphenylphosphine give the corresponding cyanothioformanilides 3, providing a route to these compounds from anilines in two mild steps.

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