methyl 5-amino-1-phenyl-1H-pyrazole-4-carboxylate

Base Information

Chemical Name:methyl 5-amino-1-phenyl-1H-pyrazole-4-carboxylate
CAS No.:29097-01-6
Molecular Formula:C11H11N3O2
Molecular Weight:217.227
Hs Code.:
DSSTox Substance ID:DTXSID501233483
Nikkaji Number:J1.324.602E
ChEMBL ID:CHEMBL1502013
Mol file:29097-01-6.mol

Synonyms:methyl 5-amino-1-phenyl-1H-pyrazole-4-carboxylate;29097-01-6;methyl 5-amino-1-phenylpyrazole-4-carboxylate;ChemDiv3_010993;MLS000660486;SCHEMBL2743090;CHEMBL1502013;DTXSID501233483;HMS1504D15;HMS2747K05;MFCD02956507;STL373675;AKOS000266375;CCG-139781;IDI1_028551;SMR000310005;EN300-6509899;SR-01000099677;SR-01000099677-1;BRD-K99048280-001-01-5;1-Phenyl-5-amino-1H-pyrazole-4-carboxylic acid methyl ester

Suppliers and Price of methyl 5-amino-1-phenyl-1H-pyrazole-4-carboxylate

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

Chemenu
Methyl5-amino-1-phenyl-1H-pyrazole-4-carboxylate 95%+
10mg
$ 223.00

Total 6 raw suppliers

Chemical Property of methyl 5-amino-1-phenyl-1H-pyrazole-4-carboxylate

Chemical Property:

Melting Point:149.5 - 150.5 °C
Boiling Point:374.2±22.0 °C(Predicted)
PKA:0.54±0.10(Predicted)
PSA：70.14000
Density:1.29±0.1 g/cm3(Predicted)
LogP:1.82230
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:217.085126602
Heavy Atom Count:16
Complexity:254

Purity/Quality:

99% ^*data from raw suppliers

Methyl5-amino-1-phenyl-1H-pyrazole-4-carboxylate 95%+ ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC(=O)C1=C(N(N=C1)C2=CC=CC=C2)N

Technology Process of methyl 5-amino-1-phenyl-1H-pyrazole-4-carboxylate

There total 4 articles about methyl 5-amino-1-phenyl-1H-pyrazole-4-carboxylate 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:

: 100-63-0
phenylhydrazine

: 1187-21-9
methyl 2-cyano-3-aminoacrylate

: 29097-01-6
methyl 5-amino-1-phenyl-4-pyrazolecarboxylate

Guidance literature:: In methanol; at 35 - 60 ℃; for 3h; Inert atmosphere;

Reference yield:

: 100-63-0
phenylhydrazine

: 29097-01-6
methyl 5-amino-1-phenyl-4-pyrazolecarboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: triethylamine / methanol / 2 h / Reflux

2: hydrogenchloride / 16 h / Reflux

With hydrogenchloride; triethylamine; In methanol;
DOI:10.1002/jhet.2862