Isobutyric acid hydrazide

Base Information

• Chemical Name: Isobutyric acid hydrazide
• CAS No.: 3619-17-8
• Molecular Formula: C4H10N2O
• Molecular Weight: 102.136
• Hs Code.: 2928000090
• European Community (EC) Number: 673-609-8
• NSC Number: 141139
• DSSTox Substance ID: DTXSID70189755
• Nikkaji Number: J68.600J
• Wikidata: Q72485128
• ChEMBL ID: CHEMBL174244
• Mol file: 3619-17-8.mol

Synonyms:Isobutyric acid hydrazide;3619-17-8;Isobutyrohydrazide;2-methylpropanehydrazide;2-methylpropanohydrazide;Propanoic acid, 2-methyl-, hydrazide;Isobutyryl hydrazide;ISOBUTYRIC ACID, HYDRAZIDE;2-Methylpropionic acid hydrazide;NSC 141139;BRN 0605579;AI3-62527;MFCD00025122;4-02-00-00854 (Beilstein Handbook Reference);2-Methylpropionohydrazide;iso-butyric acid hydrazide;SCHEMBL406213;CHEMBL174244;AMY3958;DTXSID70189755;BBL013917;BDBM50224825;NSC141139;STK411183;isobutyric acid hydrazide, AldrichCPR;AKOS000104281;AC-1522;NSC-141139;PB30560;AS-15937;LS-84400;SY041947;BB 0240448;CS-0053723;FT-0627381;I1105;EN300-06426;A823158;AE-848/30741004;Z56926537;Ethyl(S)-()-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-cis-2-propenoate

Chemical Property of Isobutyric acid hydrazide

Chemical Property:

• Appearance/Colour: white crystal
• Vapor Pressure: 0.042mmHg at 25°C
• Melting Point: 97 °C
• Refractive Index: 1.442
• Boiling Point: 238.63 °C at 760 mmHg
• PKA: 13.46±0.36(Predicted)
• Flash Point: 98.12 °C
• PSA: 55.12000
• Density: 0.977 g/cm³
• LogP: 0.72350
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
• Solubility.: soluble in Methanol
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 102.079312947
• Heavy Atom Count: 7
• Complexity: 70.1

Purity/Quality:

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

Isobutyric acid hydrazide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,T
• Statements: 20/21/22-36/37/38-25
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(=O)NN

Technology Process of Isobutyric acid hydrazide

There total 8 articles about Isobutyric acid hydrazide 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: 84.0%

Methyl isobutyrate (547-63-7,133320-07-7,67505-84-4) → isobutyric acid hydrazide (3619-17-8)

Guidance literature:

With hydrazine hydrate; for 5h; Heating;

DOI:10.1016/S0968-0896(02)00611-9

Reference yield: 71.0%

isobutyryl chloride (79-30-1) → isobutyric acid hydrazide (3619-17-8)

Guidance literature:

With hydrazine hydrate; sodium hydroxide; In water; at -5 - 0 ℃; Temperature;

DOI:10.15227/orgsyn.081.0254

Reference yield: 65.6%

Ethyl isobutyrate (97-62-1) → isobutyric acid hydrazide (3619-17-8)

Guidance literature:

With hydrazine hydrate; In ethanol; for 7h; Reflux;

DOI:10.2174/1573406411309070010

upstream raw materials:

ISOPROPYLAMIDE

Ethyl isobutyrate

methacryloyl hydrazide

diethyl isobutyryl phosphonate

Downstream raw materials:

isobutyric acid-(N'-trityl-hydrazide)

isobutyric acid benzylidenehydrazide

(E)-N'-(2-hydroxybenzylidene)isobutyrohydrazide

isobutyric acid-(1-methyl-2-oxo-propylidenehydrazide)

Refernces

• 1、 -. "Method for preparing 3-isopropyl-4-amino-1,2,4-triazoline-5-ketone". Paragraph 0015; 0027; 0028; 0030; 0031; 0033; 0034; 0036. . Retrieved 2018/11/22.
• 2、 Li, Zhenyu,Cao, Yuan,Zhan, Peng,Pannecouque, Christophe,Balzarini, Jan,De Clercq, Erik,Shen, Yuemao,Liu, Xinyong. "Arylazolylthioacetanilide. Part 11: Design, synthesis and biological evaluation of 1,2,4-triazole thioacetanilide derivatives as novel non-nucleoside HIV-1 reverse transcriptase inhibitors". . p. 968 - 973. Retrieved 2014/01/06.