2-(4-Methylbenzamido)acetic acid hydrazide

Base Information

• Chemical Name: 2-(4-Methylbenzamido)acetic acid hydrazide
• CAS No.: 887359-68-4
• Molecular Formula: C₁₀H₁₃N₃O₂
• Molecular Weight: 207.232
• DSSTox Substance ID: DTXSID70589519
• Wikidata: Q82482941
• Mol file: 887359-68-4.mol

Synonyms:887359-68-4;N-(2-Hydrazinyl-2-oxoethyl)-4-methylbenzamide;2-(4-METHYLBENZAMIDO)ACETIC ACID HYDRAZIDE;DTXSID70589519;AKOS005266845;SB86357;A917591;N-[(HYDRAZINECARBONYL)METHYL]-4-METHYLBENZAMIDE

Chemical Property of 2-(4-Methylbenzamido)acetic acid hydrazide

Chemical Property:

• Boiling Point: 505.2±43.0 °C(Predicted)
• PKA: 12.36±0.37(Predicted)
• PSA: 84.22000
• Density: 1.203±0.06 g/cm3(Predicted)
• LogP: 1.19680
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 207.100776666
• Heavy Atom Count: 15
• Complexity: 235

Purity/Quality:

97% ^*data from raw suppliers

2-(4-Methylbenzamido)aceticacidhydrazide 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=O)NCC(=O)NN

Technology Process of 2-(4-Methylbenzamido)acetic acid hydrazide

There total 2 articles about 2-(4-Methylbenzamido)acetic 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: 62.0%

N-(4-methylbenzoyl)glycine methyl ester (1208-23-7) → N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzamide (887359-68-4)

Guidance literature:

With hydrazine hydrate; In methanol; at 85 ℃;

DOI:10.1016/j.bmcl.2019.126623

Reference yield:

4-methyl-benzoyl chloride (874-60-2) → N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzamide (887359-68-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: potassium carbonate / acetonitrile / 3 h / 20 °C

1.2: 20 °C

2.1: hydrazine hydrate / methanol / 85 °C

With potassium carbonate; hydrazine hydrate; In methanol; acetonitrile;

DOI:10.1016/j.bmcl.2019.126623

upstream raw materials:

N-(4-methylbenzoyl)glycine methyl ester

4-methyl-benzoyl chloride