N'-(2-chloroacetyl)-4-methoxybenzohydrazide

Base Information

• Chemical Name: N'-(2-chloroacetyl)-4-methoxybenzohydrazide
• CAS No.: 50677-25-3
• Molecular Formula: C10H11ClN2O3
• Molecular Weight: 242.662
• Hs Code.: 2928000090
• DSSTox Substance ID: DTXSID70406616
• Wikidata: Q82211673
• Mol file: 50677-25-3.mol

Synonyms:50677-25-3;N'-(2-chloroacetyl)-4-methoxybenzohydrazide;N'-(chloroacetyl)-4-methoxybenzohydrazide;N''-(CHLOROACETYL)-4-METHOXYBENZOHYDRAZIDE;SCHEMBL6770004;DTXSID70406616;AKOS000277809;EN300-18706;N-(CHLOROACETYL)-4-METHOXYBENZOHYDRAZIDE;Z89283290

Chemical Property of N'-(2-chloroacetyl)-4-methoxybenzohydrazide

Chemical Property:

• Boiling Point: 496oC at 760 mmHg
• Flash Point: 253.8oC
• PSA: 70.92000
• Density: 1.293g/cm3
• LogP: 1.92620
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 242.0458199
• Heavy Atom Count: 16
• Complexity: 252

Purity/Quality:

95% ^*data from raw suppliers

N'-(CHLOROACETYL)-4-METHOXYBENZOHYDRAZIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C(=O)NNC(=O)CCl

Technology Process of N'-(2-chloroacetyl)-4-methoxybenzohydrazide

There total 5 articles about N'-(2-chloroacetyl)-4-methoxybenzohydrazide 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: 90.0%

4-methoxybenzoic acid hydrazide (3290-99-1) + chloroacetyl chloride (79-04-9) → PCM-0102115 (50677-25-3)

Guidance literature:

In ethyl acetate; for 0.5h; Heating;

DOI:10.1016/0223-5234(88)90141-9

Reference yield: 77.0%

4-methoxybenzoic acid hydrazide (3290-99-1) + chloroacetic acid (79-11-8) → PCM-0102115 (50677-25-3)

Guidance literature:

chloroacetic acid; With 2,6-dimethylpyridine; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; In dichloromethane; at 25 ℃; for 0.166667h;

4-methoxybenzoic acid hydrazide; at 20 ℃; for 3h;

DOI:10.1002/ardp.201300240

Reference yield: 54.0%

→ PCM-0102115 (50677-25-3)

Guidance literature:

upstream raw materials:

4-methoxybenzoic acid hydrazide

chloroacetyl chloride

ethyl 4-methoxybenzoate

4-methoxybenzoic acid

Downstream raw materials:

5-[2-(4-Methoxy-phenyl)-5-oxo-5,6-dihydro-[1,3,4]oxadiazin-4-yl]-pentanenitrile

2-(4-Methoxy-phenyl)-4H-[1,3,4]oxadiazin-5-one

2-(chloromethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole

Refernces

• 1、 Bai, Li-Ping,Guo, Yong,Jiang, Zhi-Hong,Liu, Jia-Zheng,Meng, Jie-Ru,Xu, Ting,Zheng, Zhi-Yuan. "Synthesis and biological evaluation of honokiol derivatives bearing 3-((5-phenyl-1,3,4-oxadiazol-2-yl)methyl)oxazol-2(3h)-ones as potential viral entry inhibitors against sars-cov-2". . . Retrieved 2021/09/08.
• 2、 Jupudi, Srikanth,Azam, Mohammed Afzal,Wadhwani, Ashish. "Synthesis, molecular docking, binding free energy calculation and molecular dynamics simulation studies of benzothiazol-2-ylcarbamodithioates as Staphylococcus aureus MurD inhibitors". . p. 283 - 293. Retrieved 2019/10/19.