Benzyl chloro[2-(4-methylphenyl)hydrazinylidene]acetate

Base Information

• Chemical Name: Benzyl chloro[2-(4-methylphenyl)hydrazinylidene]acetate
• CAS No.: 271794-66-2
• Molecular Formula: C16H15ClN2O2
• Molecular Weight: 302.76
• DSSTox Substance ID: DTXSID20694223
• Mol file: 271794-66-2.mol

Synonyms:Benzyl chloro[2-(4-methylphenyl)hydrazinylidene]acetate;271794-66-2;benzyl 2-chloro-2-[(4-methylphenyl)hydrazinylidene]acetate;Benzyl 2-chloro-2-[2-(4-methylphenyl)hydrazono]acetate;DTXSID20694223

Chemical Property of Benzyl chloro[2-(4-methylphenyl)hydrazinylidene]acetate

Chemical Property:

• Vapor Pressure: 1.89E-07mmHg at 25°C
• Boiling Point: 425.6°C at 760 mmHg
• Flash Point: 211.2°C
• PSA: 50.69000
• Density: 1.18g/cm³
• LogP: 3.77560
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 302.0822054
• Heavy Atom Count: 21
• Complexity: 359

Purity/Quality:

97% ^*data from raw suppliers

BENZYL-2-CHLORO-2-[2-(4-METHYLPHENYL)HYDRAZONO]ACETATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)NN=C(C(=O)OCC2=CC=CC=C2)Cl

Technology Process of Benzyl chloro[2-(4-methylphenyl)hydrazinylidene]acetate

There total 1 articles about Benzyl chloro[2-(4-methylphenyl)hydrazinylidene]acetate 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: 54.0%

benzyl 2-chloro-3-oxobutanoate (104517-65-9) + p-toluidine (106-49-0,12221-03-3) → benzyl 2-chloro-2-(4-tolylhydrazono)acetate (271794-66-2)

Guidance literature:

p-toluidine; With hydrogenchloride; sodium nitrite; In methanol; water; for 0.166667h;

benzyl 2-chloro-3-oxobutanoate; In methanol; water; at 0 - 20 ℃; for 17h; pH=5;

DOI:10.3987/com-99-8811

Reference yield: 41.0%

benzyl 2-chloro-2-(4-tolylhydrazono)acetate (271794-66-2) + (3aR,8aS)-4-(4-Nitro-phenyl)-3a,4-dihydro-7-oxa-1-thia-4,5-diaza-cyclopenta[c]pentalen-6-one → (7aR,10aS)-7-(4-Nitro-phenyl)-3-oxo-4-p-tolyl-7,7a-dihydro-4H-2-oxa-10-thia-4,5,6a,7-tetraaza-dicyclopenta[a,h]pentalene-6-carboxylic acid benzyl ester + 5-(4-nitro-phenyl)-3-oxo-8-p-tolyl-3,5,5a,5b,8,8a-hexahydro-2-oxa-9-thia-4,5,7,8-tetraaza-dicyclopenta[a,d]pentalene-6-carboxylic acid benzyl ester

Guidance literature:

With silver carbonate; In 1,4-dioxane; at 75 ℃; for 30h;

DOI:10.3987/com-99-8811

Reference yield: 35.0%

benzyl 2-chloro-2-(4-tolylhydrazono)acetate (271794-66-2) + (3aR,8aS)-4-Phenyl-3a,4-dihydro-7-oxa-1-thia-4,5-diaza-cyclopenta[c]pentalen-6-one → 3-oxo-7-phenyl-4-p-tolyl-7,7a-dihydro-4H-2-oxa-10-thia-4,5,6a,7-tetraaza-dicyclopenta[a,h]pentalene-6-carboxylic acid benzyl ester + 3-oxo-5-phenyl-8-p-tolyl-3,5,5a,5b,8,8a-hexahydro-2-oxa-9-thia-4,5,7,8-tetraaza-dicyclopenta[a,d]pentalene-6-carboxylic acid benzyl ester

Guidance literature:

With silver carbonate; In 1,4-dioxane; at 75 ℃; for 19h;

DOI:10.3987/com-99-8811

upstream raw materials:

benzyl 2-chloro-3-oxobutanoate

p-toluidine

Downstream raw materials:

4-nitro-aniline

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