4-((1,3-Benzodioxol-5-ylmethylene)amino)benzoic acid

Base Information

• Chemical Name: 4-((1,3-Benzodioxol-5-ylmethylene)amino)benzoic acid
• CAS No.: 71937-10-5
• Molecular Formula: C15H11NO4
• Molecular Weight: 269.2521
• NSC Number: 405040

Synonyms:71937-10-5;BRN 0263550;NSC405040;4-((1,3-Benzodioxol-5-ylmethylene)amino)benzoic acid;Benzoic acid, 4-((1,3-benzodioxol-5-ylmethylene)amino)-;Maybridge1_003691;5-19-04-00228 (Beilstein Handbook Reference);SCHEMBL12416716;HMS551P17;DSHS 00502;STK369454;AKOS001592576;NSC 405040;NSC-405040;EU-0067183;4-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}benzoic acid

Chemical Property of 4-((1,3-Benzodioxol-5-ylmethylene)amino)benzoic acid

Chemical Property:

• Vapor Pressure: 3.29E-10mmHg at 25°C
• Boiling Point: 484.8°Cat760mmHg
• Flash Point: 247°C
• Density: 1.34g/cm³
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 269.06880783
• Heavy Atom Count: 20
• Complexity: 376

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1OC2=C(O1)C=C(C=C2)C=NC3=CC=C(C=C3)C(=O)O

Technology Process of 4-((1,3-Benzodioxol-5-ylmethylene)amino)benzoic acid

There total 4 articles about 4-((1,3-Benzodioxol-5-ylmethylene)amino)benzoic acid 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: 73.6%

piperonal (120-57-0,30024-74-9) + 4-amino-benzoic acid (150-13-0,159246-81-8,8014-65-1) → 4-benzo[1,3]dioxol-5-ylmethyleneamino-benzoic acid (71937-10-5)

Guidance literature:

In ethanol; for 0.5h; Heating;

DOI:10.1016/S0223-5234(97)86178-8

Reference yield:

piperonal (120-57-0,30024-74-9) + 4-amino-benzoic acid (150-13-0,159246-81-8,8014-65-1) → C15H11NO4 (71937-10-5)

Guidance literature:

In ethanol; at 20 ℃;

DOI:10.1007/s11426-012-4816-2

Reference yield:

piperonal (120-57-0,30024-74-9) + 4-amino-benzoic acid (150-13-0,159246-81-8,8014-65-1) + toluene (108-88-3,15644-74-3,16713-13-6) → 4-benzo[1,3]dioxol-5-ylmethyleneamino-benzoic acid (71937-10-5)

Guidance literature:

upstream raw materials:

piperonal

4-amino-benzoic acid

toluene

Downstream raw materials:

C₃₀H₂₇NO₆

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