Purpald

Base Information

• Chemical Name: Purpald
• CAS No.: 1750-12-5
• Deprecated CAS: 29070-01-7,72170-33-3
• Molecular Formula: C2H6N6S
• Molecular Weight: 146.176
• Hs Code.: 29339900
• European Community (EC) Number: 217-135-8
• NSC Number: 682569,49106,12519
• UNII: L49PBF7WZF
• DSSTox Substance ID: DTXSID1061944
• Wikipedia: 4-Amino-3-hydrazino-5-mercapto-1,2,4-triazole
• Wikidata: Q25323975
• ChEMBL ID: CHEMBL1531579
• Mol file: 1750-12-5.mol

Synonyms:4-amino-5-hydrazino-1,2,4-triazole-3-thiol;4-amino-5-hydrazino-3-mercapto-1,2,4-triazole;AHMT;Purpald

Chemical Property of Purpald

Chemical Property:

• Appearance/Colour: Beige solid
• Melting Point: 230-231 °C
• Boiling Point: 275 °C at 760 mmHg
• PKA: 8.52±0.20(Predicted)
• Flash Point: 120.1 °C
• PSA: 133.58000
• Density: 2.31 g/cm³
• LogP: -0.07930
• Storage Temp.: 0-6°C
• Solubility.: Soluble in Dimethyl sulfoxide. (DMSO)
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 146.03746539
• Heavy Atom Count: 9
• Complexity: 162

Purity/Quality:

98%, ^*data from raw suppliers

4-Amino-3-hydrazino-5-mercapto-1,2,4-triazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Triazoles
• Canonical SMILES: C1(=S)NN=C(N1N)NN
• Uses: A reagent for the determination of aldehydes and other reactive chemicals 4-Amino-3-hydrazino-5-mercapto-1,2,4-triazole is a reagent used in the determination of aldehydes and other reactive chemicals.was used in purpald assay for determination of bacterial polysaccharides containing substituted or unsubstituted glycol in residues such as glycerol, ribitol, arabinitol, furanosyl galactose and sialic acid. It was used as chromogen during the determination of catalase activity in small tissue samples. It was used as reagent in determination of formaldehyde. It was used for derivatization of neutral monosaccharides during HPLC. Purpald? was used in purpald assay for determination of bacterial polysaccharides containing substituted or unsubstituted glycol in residues such as glycerol, ribitol, arabinitol, furanosyl galactose and sialic acid. It was used as chromogen during the determination of catalase activity in small tissue samples. It was used as reagent in determination of formaldehyde. It was used for derivatization of neutral monosaccharides during HPLC.

Technology Process of Purpald

There total 13 articles about Purpald 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: 72.0%

thiourea (17356-08-0) → Purpald(R) (1750-12-5)

Guidance literature:

With hydrazine hydrate; for 3h; Reflux;

DOI:10.1002/jhet.3484

Reference yield: 45.0%

diethyl hydrazine-1,2-diylbis(thioxomethylene)dicarbamate (108302-28-9) → Purpald(R) (1750-12-5)

Guidance literature:

With hydrazine hydrate; for 2h; Heating;

Reference yield:

bithiourea (142-46-1) + water (7732-18-5) + hydrazine hydrate (7803-57-8,79785-97-0) → Purpald(R) (1750-12-5)

Guidance literature:

DOI:10.1039/jr9520004811

upstream raw materials:

O,S-Diethyl dithiocarbonate

bithiourea

Thiocarbohydrazide

methyl ester of N²-acetyl-dithiocarbazic acid

Downstream raw materials:

4-Amino-5-(3-methyl-5-phenyl-pyrazol-1-yl)-2,4-dihydro-[1,2,4]triazole-3-thione

4-hydroxy-3-{3-[2-(4-chlorobenzylidene)hydrazino]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl}-6-methylpyran-2-one

4-hydroxy-3-{3-[2-(4-bromobenzylidene)hydrazino]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl}-6-methylpyran-2-one

4-hydroxy-3-{3-[2-(4-methoxybenzylidene)hydrazino]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl}-6-methylpyran-2-one

Refernces

• 1、 Sujatha, Kodam,Deshpande, Ravindra Pramod,Kesharwani, Rajesh Kumar,Babu, Phanithi Prakash,Rao Vedula, Rajeswar. "An efficient one-pot expeditious synthesis of 3-phenyl-1-(6-phenyl-7H-[1,2,4] triazolo[3,4-b] [1,3,4] thiadiazin-3-yl)-1H-pyrazol-5-amines via multicomponent approach". . p. 49 - 55. Retrieved 2019.
• 2、 Postovskii et al.. "-". . . Retrieved 1975.
• 3、 Moustafa, Amr Hassan,Amer, Amer Anwar. "A regioselective and convenient one-pot multicomponent synthesis of 9-amino-3,5-diaryl-4,9-dihydro-5H-[1,2,4]triazolo[5,1-c][1,2,4]triazepine-8-thiol". supporting information. p. 1102 - 1109. Retrieved 2017/05/25.