1H-indole-2-carbohydrazide

Base Information

• Chemical Name: 1H-indole-2-carbohydrazide
• CAS No.: 5055-39-0
• Molecular Formula: C9H9N3O
• Molecular Weight: 175.19
• Hs Code.: 2933990090
• European Community (EC) Number: 674-730-9
• NSC Number: 71793,28895
• DSSTox Substance ID: DTXSID60282941
• Nikkaji Number: J1.412.853K
• Wikidata: Q82017343
• ChEMBL ID: CHEMBL1426406
• Mol file: 5055-39-0.mol

Synonyms:1H-indole-2-carbohydrazide;5055-39-0;Indole-2-carbohydrazide;NSC28895;1h-indole-2-carboxylic acid hydrazide;indole hydrazide;indolecarbohydrazide;1H-INDOLE-2-CARBOXYLICACIDHYDRAZIDE;ChemDiv3_013082;NCIOpen2_000501;MLS000689396;SCHEMBL474835;CHEMBL1426406;DTXSID60282941;DZLFRQHFFVRYEE-UHFFFAOYSA-N;HMS1510C14;HMS2721K23;indole-2-carboxylic acid hydrazide;NSC71793;BBL036127;MFCD02293210;NSC-28895;NSC-71793;STK059666;AKOS000430845;AB11823;1H-Indole-2-carboxylic acid, hydrazide;SMR000311195;CS-0054221;FT-0678154;4P-020;D97620;EN300-104681;AB00598394-06;A828169;AN-068/25067012;J-504696;BRD-K76796560-001-01-7

Chemical Property of 1H-indole-2-carbohydrazide

Chemical Property:

• Melting Point: 228-230 °C
• Refractive Index: 1.719
• PKA: 13.16±0.30(Predicted)
• PSA: 70.91000
• Density: 1.353 g/cm³
• LogP: 1.86260
• Storage Temp.: 2-8°C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 175.074561919
• Heavy Atom Count: 13
• Complexity: 207

Purity/Quality:

98%,99%, ^*data from raw suppliers

1H-Indole-2-carbohydrazide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=C(N2)C(=O)NN

Technology Process of 1H-indole-2-carbohydrazide

There total 8 articles about 1H-indole-2-carbohydrazide 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: 98.5%

2-carbethoxyindole (3770-50-1,117770-52-2) → indole-2-carbohydrazide (5055-39-0)

Guidance literature:

With hydrazine hydrate; Heating;

DOI:10.1016/S0040-4020(97)00149-X

Reference yield: 97.0%

indole-2-carboxylic acid methyl ester (1202-04-6) → indole-2-carbohydrazide (5055-39-0)

Guidance literature:

With hydrazine hydrate; Microwave irradiation;

DOI:10.3184/174751915X14306656265736

Reference yield: 97.0%

→ indole-2-carbohydrazide (5055-39-0)

Guidance literature:

With hydrazine hydrate; Reflux; Microwave irradiation;

upstream raw materials:

indole-2-carboxylic acid methyl ester

2-carbethoxyindole

Indole-2-carboxylic acid

ethyl pyruvate phenylhydrazone

Downstream raw materials:

N'-(phenylsulfonyl)-1H-indole-2-carbohydrazide

1-Methyl-3,5-dihydro-pyridazino[4,5-b]indol-4-one

1-(4-chloro-phenyl)-3,5-dihydro-pyridazino[4,5-b]indol-4-one

3,5-dihydro-4H-pyridazino[4,5-b]indol-4-one

Refernces

• 1、 -. "FLOW CHEMISTRY SYNTHESIS OF ISOCYANATES". Paragraph 0175; 0186-0187; 0261-0262. . Retrieved 2021/06/22.
• 2、 Abu Khalaf, Reema,Al-Essa, Luay,Al-Shalabi, Eveen,Awad, Maha,Mefleh, Sara,Sabbah, Dima,Shabeeb, Ihsan. "Discovery, synthesis and in combo studies of Schiff’s bases as promising dipeptidyl peptidase-IV inhibitors". . . Retrieved 2021/09/25.