2-[(6-Amino-3,5-dicyano-2-pyridinyl)thio]acetic acid ethyl ester

Base Information

• Chemical Name: 2-[(6-Amino-3,5-dicyano-2-pyridinyl)thio]acetic acid ethyl ester
• CAS No.: 5282-20-2
• Molecular Formula: C11H10N4O2S
• Molecular Weight: 262.2877
• DSSTox Substance ID: DTXSID70353797
• Wikidata: Q27185516
• ChEMBL ID: CHEMBL1596738

Synonyms:5282-20-2;ethyl 2-(6-amino-3,5-dicyanopyridin-2-yl)sulfanylacetate;2-[(6-amino-3,5-dicyano-2-pyridinyl)thio]acetic acid ethyl ester;ethyl [(6-amino-3,5-dicyanopyridin-2-yl)sulfanyl]acetate;ST4002966;CBMicro_016450;MLS000701821;CHEMBL1596738;DTXSID70353797;CHEBI:107294;HMS2621A04;CCG-5409;STK247013;AKOS001710982;SMR000226139;BIM-0016411.P001;SR-01000508056;SR-01000508056-1;Q27185516;ETHYL 2-[(6-AMINO-3,5-DICYANOPYRIDIN-2-YL)SULFANYL]ACETATE

Chemical Property of 2-[(6-Amino-3,5-dicyano-2-pyridinyl)thio]acetic acid ethyl ester

Chemical Property:

• Vapor Pressure: 2.94E-08mmHg at 25°C
• Boiling Point: 449.1°Cat760mmHg
• Flash Point: 225.4°C
• Density: 1.38g/cm³
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 262.05244675
• Heavy Atom Count: 18
• Complexity: 396

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CSC1=C(C=C(C(=N1)N)C#N)C#N

Technology Process of 2-[(6-Amino-3,5-dicyano-2-pyridinyl)thio]acetic acid ethyl ester

There total 7 articles about 2-[(6-Amino-3,5-dicyano-2-pyridinyl)thio]acetic acid ethyl ester which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

(+/-)-16ξ-Hydroxy-17-norkauran-19-saeure (5095-29-4,16910-10-4,16910-12-6) → (+/-)-16-Oxo-17-norkauran-19-saeure-methylester (3301-51-7,5282-20-2,18317-13-0,43125-40-2,43125-41-3)

Guidance literature:

Multi-step reaction with 2 steps

1: CrO₃ / acetone

2: ethyl acetate; diethyl ether

With chromium(VI) oxide; In diethyl ether; ethyl acetate; acetone;

DOI:10.1016/S0040-4020(01)98717-4

Reference yield:

C25H38O5 → (+/-)-16-Oxo-17-norkauran-19-saeure-methylester (3301-51-7,5282-20-2,18317-13-0,43125-40-2,43125-41-3)

Guidance literature:

Multi-step reaction with 3 steps

1: (i) Na, N₂H₄, diethylene glycol, (ii) aq. HCl

2: CrO₃ / acetone

3: ethyl acetate; diethyl ether

With chromium(VI) oxide; In diethyl ether; ethyl acetate; acetone;

DOI:10.1016/S0040-4020(01)98717-4

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) + (+/-)-16-Oxo-17-nor-kauran-19-saeure (5095-30-7,18671-67-5) → (+/-)-16-Oxo-17-norkauran-19-saeure-methylester (3301-51-7,5282-20-2,18317-13-0,43125-40-2,43125-41-3)

Guidance literature:

In diethyl ether; ethyl acetate;

DOI:10.1016/S0040-4020(01)98717-4

upstream raw materials:

ent-kaur-16-en-18-oic acid methyl ester

17-Acetyl-kauren-16-saeure-18-methylester

Cyclokauransaeure-18-methylester

diazomethane

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