3-Amino-1H-indazole-4-carbonitrile

Base Information

Chemical Name:3-Amino-1H-indazole-4-carbonitrile
CAS No.:1240518-54-0
Molecular Formula:C8H6N4
Molecular Weight:158.16000
Hs Code.:2933990090
DSSTox Substance ID:DTXSID20708410
Wikidata:Q27467818
ChEMBL ID:CHEMBL2391619
Mol file:1240518-54-0.mol

Synonyms:3-Amino-1H-indazole-4-carbonitrile;1240518-54-0;CHEMBL2391619;3zly;SCHEMBL186113;DTXSID20708410;KVXRKRURRSOVSJ-UHFFFAOYSA-N;BDBM50491984;MFCD20486223;AKOS016001933;1H-Indazole-4-carbonitrile, 3-amino-;FS-3626;CS-0043919;FT-0754817;Q27467818;YSO

Suppliers and Price of 3-Amino-1H-indazole-4-carbonitrile

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

Crysdot
3-Amino-1H-indazole-4-carbonitrile 98%
1g
$ 198.00

Crysdot
3-Amino-1H-indazole-4-carbonitrile 98%
250mg
$ 79.00

Crysdot
3-Amino-1H-indazole-4-carbonitrile 98%
5g
$ 594.00

Crysdot
3-Amino-1H-indazole-4-carbonitrile 98%
10g
$ 1042.00

Chemenu
3-amino-1H-indazole-4-carbonitrile 98%
10g
$ 982.00

Chemenu
3-amino-1H-indazole-4-carbonitrile 98%
5g
$ 561.00

Chemenu
3-amino-1H-indazole-4-carbonitrile 98%
1g
$ 204.00

Chemcia Scientific
3-Amino-1H-indazole-4-carbonitrile 95%
1 G
$ 250.00

American Custom Chemicals Corporation
3-AMINO-1H-INDAZOLE-4-CARBONITRILE 95.00%
5MG
$ 502.34

Alichem
3-Amino-1H-indazole-4-carbonitrile
5g
$ 894.89

Total 18 raw suppliers

Chemical Property of 3-Amino-1H-indazole-4-carbonitrile

Chemical Property:

Boiling Point:472.6±25.0 °C(Predicted)
PKA:12.50±0.40(Predicted)
PSA：78.49000
Density:1.43±0.1 g/cm3(Predicted)
LogP:1.59798
Storage Temp.:2-8°C(protect from light)
XLogP3:0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:158.059246208
Heavy Atom Count:12
Complexity:218

Purity/Quality:

97% ^*data from raw suppliers

3-Amino-1H-indazole-4-carbonitrile 98% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=C2C(=C1)NN=C2N)C#N

Technology Process of 3-Amino-1H-indazole-4-carbonitrile

There total 1 articles about 3-Amino-1H-indazole-4-carbonitrile 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: 87.0%

: 65610-13-1
3-fluoro-1,2-benzenedicarbonitrile

: 1240518-54-0
3-amino-1H-indazole-4-carbonitrile

Guidance literature:: With hydrazine hydrate; In ethanol; at 70 ℃;

Reference yield:

: 1240518-54-0
3-amino-1H-indazole-4-carbonitrile

: 64407-07-4
3-(chloromethyl)benzonitrile

: C₁₆H₁₁N₅

Guidance literature:: With potassium hydroxide; In dimethyl sulfoxide; at 20 ℃; for 0.416667h; Inert atmosphere;
DOI:10.1021/jm301572h

Reference yield:

: 1240518-54-0
3-amino-1H-indazole-4-carbonitrile

: 1240518-66-4
N-({3-[(4-acetyl-3-{[(5-chloro-2-thienyl)sulfonyl]amino}-1H-indazol-1-yl)methyl]phenyl}methyl)acetamide

Guidance literature:: Multi-step reaction with 5 steps

1.1: potassium hydroxide / dimethyl sulfoxide / 0.42 h / 20 °C / Inert atmosphere

2.1: pyridine / 0.67 h / 20 °C / Inert atmosphere

3.1: lithium aluminium tetrahydride; hydrogenchloride / diethyl ether; tetrahydrofuran / 1 h / 10 - 20 °C / Inert atmosphere

4.1: triethylamine / dichloromethane / 0.5 h

4.2: 0.5 h / 20 °C

5.1: diethyl ether; tetrahydrofuran / 2 h / 20 °C

With pyridine; hydrogenchloride; lithium aluminium tetrahydride; triethylamine; potassium hydroxide; In tetrahydrofuran; diethyl ether; dichloromethane; dimethyl sulfoxide;
DOI:10.1021/jm301572h