Cyclopropanecarbohydrazide

Base Information

• Chemical Name: Cyclopropanecarbohydrazide
• CAS No.: 6952-93-8
• Molecular Formula: C4H8N2O
• Molecular Weight: 100.12
• Hs Code.: 2928000090
• European Community (EC) Number: 230-132-6
• NSC Number: 70850
• DSSTox Substance ID: DTXSID00219776
• Nikkaji Number: J265.992A
• Wikidata: Q72460575
• Mol file: 6952-93-8.mol

Synonyms:Cyclopropanecarbohydrazide;6952-93-8;Cyclopropanecarboxylic acid hydrazide;Cyclopropanecarboxylic acid, hydrazide;MFCD00045392;1-(Cyclopropylcarbonyl)hydrazine;EINECS 230-132-6;cyclopropane carbohydrazide;Oprea1_824763;SCHEMBL363166;DTXSID00219776;(1Z)-N,2-dihydroxyethanimidamide;Cyclopropanecarboxylicacid,hydrazide;cyclopropylcarboxylic acid hydrazide;CS-D0255;NSC70850;BBL008116;NSC 70850;NSC-70850;STK008805;cyclopropane carboxylic acid hydrazide;AKOS000116246;PB14101;AS-12068;SY046578;AM20100651;BB 0237053;FT-0624285;EN300-03670;A836531;Z56891400

Chemical Property of Cyclopropanecarbohydrazide

Chemical Property:

• Vapor Pressure: 0.00324mmHg at 25°C
• Melting Point: 98-99℃
• Refractive Index: 1.547
• Boiling Point: 283 °C at 760 mmHg
• PKA: 13.46±0.20(Predicted)
• Flash Point: 125 °C
• PSA: 55.12000
• Density: 1.244 g/cm³
• LogP: 0.47750
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 100.063662883
• Heavy Atom Count: 7
• Complexity: 87.7

Purity/Quality:

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

Cyclopropanecarbohydrazide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1C(=O)NN

Technology Process of Cyclopropanecarbohydrazide

There total 6 articles about Cyclopropanecarbohydrazide 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: 100.0%

ethyl cyclopropylcarboxylate (4606-07-9) → cyclopropanecarbohydrazide (6952-93-8)

Guidance literature:

With hydrazine hydrate; at 120 ℃; for 16h;

Reference yield: 96.0%

cyclopropanecarboxylic acid chloride (4023-34-1) → cyclopropanecarbohydrazide (6952-93-8)

Guidance literature:

With hydrazine hydrate; In tetrahydrofuran; at 0 - 20 ℃; for 0.5h; Inert atmosphere;

DOI:10.1021/acs.jmedchem.0c00508

Reference yield: 78.4%

cyclopropanecarboxylic acid (1759-53-1) → cyclopropanecarbohydrazide (6952-93-8)

Guidance literature:

With hydrazine hydrate; In ethanol; for 3h; Reflux;

DOI:10.1002/jhet.2418

upstream raw materials:

ethyl cyclopropylcarboxylate

methyl cyclopropylcarboxylate

tert-butyl 2-(cyclopropanecarbonyl)hydrazinecarboxylate

cyclopropanecarboxylic acid chloride

Downstream raw materials:

9-cyclopropyl-2-bromo-4-(2-chloro-phenyl)-4H,6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,4]oxazepine

Cyclopropanecarboxylic acid [1-(2,6-dichloro-phenyl)-meth-(E)-ylidene]-hydrazide

1-(cyclopropylcarbonyl)-2-(2-propylidene)hydrazine

Cyclopropanecarboxylic acid [1-[6-(2-hydroxy-1-methyl-ethyl)-benzo[1,3]dioxol-5-yl]-1-(4-nitro-phenyl)-meth-(E)-ylidene]-hydrazide

Refernces

• 1、 Alexandre-Moreira, Magna Suzana,Aparecida-Silva, Cristiane,Barreiro, Eliezer J.,Bispo Júnior, Walfrido,Lima, Lidia Moreira,Zapata-Sudo, Gisele,da Silva Monteiro, Carlos Eduardo,da Silva, Tiago Fernandes,de Queiroz, Aline Cavalcanti. "Design and synthesis in silico drug-like prediction and pharmacological evaluation of cyclopolymethylenic homologous of lassbio-1514". . . Retrieved 2021/08/19.
• 2、 Pedreira, Júlia G. B.,Nahidino, Philipp,Kudolo, Mark,Pantsar, Tatu,Berger, Benedict-Tilman,Forster, Michael,Knapp, Stefan,Laufer, Stefan,Barreiro, Eliezer J.. "Bioisosteric Replacement of Arylamide-Linked Spine Residues with N-Acylhydrazones and Selenophenes as a Design Strategy to Novel Dibenzosuberone Derivatives as Type i 1/2 p38α MAP Kinase Inhibitors". supporting information. p. 7347 - 7354. Retrieved 2020/09/11.