Diethyl 2-([(1-methyl-1H-pyrazol-5-YL)amino]methylene)malonate

Base Information

Chemical Name:Diethyl 2-([(1-methyl-1H-pyrazol-5-YL)amino]methylene)malonate
CAS No.:37799-77-2
Molecular Formula:C₁₂H₁₇N₃O₄
Molecular Weight:267.285
Hs Code.:2933199090
DSSTox Substance ID:DTXSID20380619
Mol file:37799-77-2.mol

Synonyms:37799-77-2;DIETHYL 2-([(1-METHYL-1H-PYRAZOL-5-YL)AMINO]METHYLENE)MALONATE;diethyl 2-[[(2-methylpyrazol-3-yl)amino]methylidene]propanedioate;Diethyl 2-(((1-methyl-1H-pyrazol-5-yl)amino)methylene)malonate;diethyl 2-{[(1-methyl-1H-pyrazol-5-yl)amino]methylene}malonate;Diethyl2-(((1-methyl-1H-pyrazol-5-yl)amino)methylene)malonate;Diethyl2-([(1-methyl-1H-pyrazol-5-yl)amino]methylene)malonate;SCHEMBL20418823;DTXSID20380619;AKOS005094528;FT-0639414;5T-0006;A823881;diethyl 2-((1-methyl-1H-pyrazol-5-ylamino)methylene)malonate;Diethyl 2-([(1-methyl-1H-pyrazol)amino]methylene) malonate;1,3-diethyl 2-{[(1-methyl-1H-pyrazol-5-yl)amino]methylidene}propanedioate;2-[[(2-methyl-3-pyrazolyl)amino]methylidene]propanedioic acid diethyl ester

Suppliers and Price of Diethyl 2-([(1-methyl-1H-pyrazol-5-YL)amino]methylene)malonate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
DIETHYL 2-([(1-METHYL-1H-PYRAZOL-5-YL)AMINO]METHYLENE)MALONATE 95.00%
5MG
$ 623.82

American Custom Chemicals Corporation
DIETHYL 2-([(1-METHYL-1H-PYRAZOL-5-YL)AMINO]METHYLENE)MALONATE 95.00%
10MG
$ 618.50

American Custom Chemicals Corporation
DIETHYL 2-([(1-METHYL-1H-PYRAZOL-5-YL)AMINO]METHYLENE)MALONATE 95.00%
1MG
$ 586.97

AHH
Diethyl2-([(1-methyl-1H-pyrazol)amino]methylene)malonate 98%
10g
$ 478.00

Total 4 raw suppliers

Chemical Property of Diethyl 2-([(1-methyl-1H-pyrazol-5-YL)amino]methylene)malonate

Chemical Property:

Vapor Pressure:2.62E-05mmHg at 25°C
Boiling Point:358°C at 760 mmHg
Flash Point:170.3°C
PSA：82.45000
Density:1.2g/cm³
LogP:0.91510
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:267.12190603
Heavy Atom Count:19
Complexity:337

Purity/Quality:

97% ^*data from raw suppliers

DIETHYL 2-([(1-METHYL-1H-PYRAZOL-5-YL)AMINO]METHYLENE)MALONATE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCOC(=O)C(=CNC1=CC=NN1C)C(=O)OCC

Technology Process of Diethyl 2-([(1-methyl-1H-pyrazol-5-YL)amino]methylene)malonate

There total 1 articles about Diethyl 2-([(1-methyl-1H-pyrazol-5-YL)amino]methylene)malonate 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: 77.0%

: 1192-21-8
5-Amino-1-methylpyrazole

: 87-13-8
diethyl 2-ethoxymethylenemalonate

: 37799-77-2
diethyl 2-[(1-methyl-1H-pyrazol-5-ylamino)methylene]malonate

Guidance literature:: at 120 ℃; for 2h;
DOI:10.1021/jm301527r

Reference yield:

: 37799-77-2
diethyl 2-[(1-methyl-1H-pyrazol-5-ylamino)methylene]malonate

: 4-[(3-methoxyphenyl)amino]-1-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxamide

Guidance literature:: Multi-step reaction with 5 steps

1: POCl₃ / 120 °C

2: aq. KOH / 1,2-dimethoxy-ethane / 20 °C

3: SOCl₂ / 80 °C

4: aq. NH₃ / tetrahydrofuran / 0 °C

5: 67 percent / dioxane / Heating

With potassium hydroxide; ammonium hydroxide; thionyl chloride; trichlorophosphate; In tetrahydrofuran; 1,4-dioxane; 1,2-dimethoxyethane;
DOI:10.1248/cpb.52.1098

Reference yield:

: 37799-77-2
diethyl 2-[(1-methyl-1H-pyrazol-5-ylamino)methylene]malonate

: 1421702-80-8
N-cyclohexyl-4,7-dihydro-1-methyl-4-oxo-1H-pyrazolo[3,4-b]pyridine-5-carboxamide

Guidance literature:: Multi-step reaction with 3 steps

1: diphenylether / 3 h / 250 °C

2: sodium hydroxide / water / 6 h / 20 °C

3: N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; benzotriazol-1-ol / N,N-dimethyl-formamide / 16.17 h / 20 °C

With benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; sodium hydroxide; In diphenylether; water; N,N-dimethyl-formamide;
DOI:10.1021/jm301527r