3-Aminobenzophenone

Base Information

• Chemical Name: 3-Aminobenzophenone
• CAS No.: 2835-78-1
• Molecular Formula: C13H11 N O
• Molecular Weight: 197.236
• Hs Code.: 29223990
• European Community (EC) Number: 220-614-4
• NSC Number: 86511
• DSSTox Substance ID: DTXSID60182593
• Nikkaji Number: J55.472C
• Wikidata: Q72438055
• Mol file: 2835-78-1.mol

Synonyms:3-Aminobenzophenone;2835-78-1;3-Benzoylaniline;(3-Aminophenyl)(phenyl)methanone;Methanone, (3-aminophenyl)phenyl-;(3-aminophenyl)-phenylmethanone;m-Aminobenzophenone;BENZOPHENONE, 3-AMINO-;EINECS 220-614-4;NSC 86511;(3-AMINOPHENYL)PHENYLMETHANONE;BRN 2209413;4-14-00-00247 (Beilstein Handbook Reference);NSC86511;3-Amino-benzophenon;3-amino-benzophenone;3-Aminobenzophenone, 97%;NCIOpen2_001023;SCHEMBL147608;(3-amino-phenyl)phenyl-methanone;DTXSID60182593;CHEBI:194607;(3-Aminophenyl)(phenyl)methanone #;BBL034235;MFCD00017103;NSC-86511;STL417815;AKOS005254206;SDCCGMLS-0065869.P001;AS-35715;BP-12728;LS-38869;CS-0171248;FT-0615032;EN300-52314;A876733;J-017050;Z740905616

Chemical Property of 3-Aminobenzophenone

Chemical Property:

• Appearance/Colour: Yellow-greenish powder
• Vapor Pressure: 5.24E-06mmHg at 25°C
• Melting Point: 85-87°C
• Boiling Point: 381°Cat760mmHg
• PKA: 3.39±0.10(Predicted)
• Flash Point: 184.2°C
• PSA: 43.09000
• Density: 1.161g/cm³
• LogP: 3.08100
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 197.084063974
• Heavy Atom Count: 15
• Complexity: 221

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Aminobenzophenone ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Safety Statements: 22-24/25-39-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)N
• Uses: 3-Aminobenzophenone has been used in the synthesis of racemic benzophenone ureas, chiral photoaffinity labeling probes.

Technology Process of 3-Aminobenzophenone

There total 22 articles about 3-Aminobenzophenone 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: 97.0%

3-nitrobenzophenone (2243-80-3) → 3-amino benzophenone (2835-78-1)

Guidance literature:

With tin(ll) chloride; In ethyl acetate; for 1h; Heating;

DOI:10.1016/S0040-4020(01)85294-7

Reference yield: 95.0%

3-iodobenzophenone (25116-37-4) → 3-amino benzophenone (2835-78-1)

Guidance literature:

3-iodobenzophenone; With copper(l) iodide; D-glucosamine hydrochloride; potassium carbonate; In water; acetone; at 90 ℃; for 0.166667h;

With ammonia; In water; acetone; at 90 ℃; for 28h;

DOI:10.1039/c1cc10568j

Reference yield: 93.0%

meta-aminobenzoic acid (99-05-8,159139-79-4) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 3-amino benzophenone (2835-78-1)

Guidance literature:

With trifluorormethanesulfonic acid; tris(methyl salicylate)phoshate ester; at 20 ℃; for 0.333333h; chemoselective reaction;

DOI:10.1039/c6cc09618b

upstream raw materials:

3-nitrobenzophenone

3-Aminobenzamide

m-cyanoaniline

carbon monoxide

Downstream raw materials:

N-(3-benzoylphenyl)acetamide

Refernces

• 1、 Hurst, Timothy E.,Deichert, Julie A.,Kapeniak, Lucas,Lee, Roland,Harris, Jesse,Jessop, Philip G.,Snieckus, Victor. "Sodium Methyl Carbonate as an Effective C1 Synthon. Synthesis of Carboxylic Acids, Benzophenones, and Unsymmetrical Ketones". supporting information. p. 3882 - 3885. Retrieved 2019/06/07.
• 2、 Hao, Cheng Yi,Wang, Dan,Li, Ya Wei,Dong, Lin Lin,Jin, Ying,Zhang, Xiu Rong,Zhu, He Yun,Chang, Sheng. "Carbonylative coupling of aryl tosylates/triflates with arylboronic acids under CO atmosphere". . p. 86502 - 86509. Retrieved 2016/09/23.