3,5-Diaminobenzamide

Base Information

• Chemical Name: 3,5-Diaminobenzamide
• CAS No.: 53882-15-8
• Molecular Formula: C7H9N3O
• Molecular Weight: 151.168
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID20467813
• Wikidata: Q82294891
• Mol file: 53882-15-8.mol

Synonyms:3,5-diaminobenzamide;53882-15-8;starbld0009806;SCHEMBL890399;YSCK0176;SCHEMBL18780098;DTXSID20467813;RSCMSACQRPYYRN-UHFFFAOYSA-N;SB76016

Chemical Property of 3,5-Diaminobenzamide

Chemical Property:

• Boiling Point: 369.8±32.0 °C(Predicted)
• PKA: 16.51±0.50(Predicted)
• PSA: 96.12000
• Density: 1.341±0.06 g/cm3(Predicted)
• LogP: 1.99650
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 151.074561919
• Heavy Atom Count: 11
• Complexity: 150

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1N)N)C(=O)N

Technology Process of 3,5-Diaminobenzamide

There total 8 articles about 3,5-Diaminobenzamide 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: 60.0%

3,5-dinitrobenzamide (121-81-3) → 3,5-diaminobenzamide (53882-15-8)

Guidance literature:

With palladium on activated charcoal; hydrogen; In ethanol; at 80 ℃; for 8h;

DOI:10.1016/j.reactfunctpolym.2019.04.005

Reference yield:

3,5-dibenzylaminobenzamide → 3,5-diaminobenzamide (53882-15-8)

Guidance literature:

With 5%-palladium/activated carbon; hydrogen; In methanol; at 40 ℃; for 12h; under 1500.15 Torr;

Reference yield:

3,5-diaminobenzonitrile (33786-93-5) → 3,5-diaminobenzamide (53882-15-8)

Guidance literature:

With Rhodococcus rhodochrous ATCC BAA 870 cobalt nitrile hydratase; In aq. buffer; at 30 ℃; pH=7.6; Enzymatic reaction;

DOI:10.3390/molecules25010238

upstream raw materials:

3,5-dinitrobenzamide

3.5-diaminobenzoic acid

3,5-dichlorobenzamide

1,3-Dichlorobenzene

Downstream raw materials:

N-[3-Carbamoyl-5-(ethoxyoxalyl-amino)-phenyl]-oxalamic acid ethyl ester

3,5-diaminobenzonitrile

N-[3-Carbamoyl-5-(oxalyl-amino)-phenyl]-oxalamic acid

3,5-bis-acetylamino-benzoic acid amide