4-Aminobenzamide

Base Information

• Chemical Name: 4-Aminobenzamide
• CAS No.: 2835-68-9
• Molecular Formula: C7H8N2O
• Molecular Weight: 136.153
• Hs Code.: 29242990
• European Community (EC) Number: 220-612-3
• NSC Number: 233920,36963
• UNII: 77722I6PAC
• DSSTox Substance ID: DTXSID7038814
• Nikkaji Number: J60.370H
• Wikidata: Q27266557
• ChEMBL ID: CHEMBL332444
• Mol file: 2835-68-9.mol

Synonyms:4-aminobenzamide;para-aminobenzamide

Chemical Property of 4-Aminobenzamide

Chemical Property:

• Appearance/Colour: off-white to beige crystalline powder
• Vapor Pressure: 4.84E-05mmHg at 25°C
• Melting Point: 181-183 °C(lit.)
• Refractive Index: 1.632
• Boiling Point: 349 °C at 760 mmHg
• PKA: 16.83±0.50(Predicted)
• Flash Point: 164.9 °C
• PSA: 69.11000
• Density: 1.233 g/cm³
• LogP: 1.64920
• Storage Temp.: Store below +30°C.
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Water Solubility.: Slightly soluble in water.
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 136.063662883
• Heavy Atom Count: 10
• Complexity: 128

Purity/Quality:

99%min ^*data from raw suppliers

4-Aminobenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 20/22-36/38-36/37/38
• Safety Statements: 38-37/39-26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)N)N
• Uses: 4-Aminobenzamide was used as a poly(ADP-ribose)polymerase (PADPRP) inhhibitor to study the death of target cells by cytotoxic effector cells using the nuclear enzyme poly(ADP-ribose)polymerase (PADPRP).

Technology Process of 4-Aminobenzamide

There total 47 articles about 4-Aminobenzamide 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: 100.0%

4-Aminobenzonitrile (873-74-5) → 4-aminobenzamide (2835-68-9)

Guidance literature:

With C₁₈H₅₇O₃P₆Ru₂⁽¹⁺⁾*C₆H₅O^(1-)*C₆H₆O; water; In 1,4-dioxane; for 48h; Time; Sealed tube; Inert atmosphere; Schlenk technique;

DOI:10.1016/j.poly.2016.04.006

Reference yield: 98.8%

ethyl 4-nitrobenzoate (99-77-4) → 4-aminobenzamide (2835-68-9)

Guidance literature:

With palladium on carbon; ammonia; hydrogen; In methanol; at 30 - 35 ℃; for 7h; under 1500.15 - 2250.23 Torr; Temperature; Solvent; Reagent/catalyst; Autoclave;

Reference yield: 97.0%

4-aminobenzaldehyde (556-18-3,28107-09-7) → 4-aminobenzamide (2835-68-9)

Guidance literature:

With aluminum oxide; hydroxylamine hydrochloride; methanesulfonyl chloride; water; at 100 ℃; for 1.5h;

DOI:10.1016/S0040-4020(02)01417-5

upstream raw materials:

4-nitrobenzamide

4-Aminobenzonitrile

2-iodo-4-nitrobenzamide

C₁₀H₁₂N₄O₂

Downstream raw materials:

1-(4-carbamoylphenyl)-3-methylthiourea

(Z)-3-(4-Carbamoyl-phenylcarbamoyl)-acrylic acid

C₁₀H₁₄N₄O₂

C₁₂H₁₈N₄O

Refernces

• 1、 Roedel, Martin,Thieme, Florian,Buchholz, Herwig,Koenig, Burkhard. "Heterogeneous catalyzed reduction of polymer-bound nitroarenes". . p. 1181 - 1187. Retrieved 2002.
• 2、 Prajapati,Borah,Sandhu,Ghosh. "Ammonium sulphate - Magnesium promoted selective reduction of aromatic nitro compounds". . p. 4025 - 4028. Retrieved 1995.
• 3、 Fu, Lihua,Li, Dingzhong,Lu, Hao,Qiu, Renhua,Sun, Tulai,Xing, Chen,Yang, Tianbao. "Industrial Cunninghamia lanceolata carbon supported FeO(OH) nanoparticles-catalyzed hydrogenation of nitroarenes". . . Retrieved 2022/01/11.
• 4、 Yadav, Suman,Reshi, Noor U Din,Pal, Saikat,Bera, Jitendra K.. "Aerobic oxidation of primary amines to amides catalyzed by an annulated mesoionic carbene (MIC) stabilized Ru complex". . p. 7018 - 7028. Retrieved 2021/11/17.