2-Amino-5-bromobenzophenone

Base Information

• Chemical Name: 2-Amino-5-bromobenzophenone
• CAS No.: 39859-36-4
• Molecular Formula: C13H10BrNO
• Molecular Weight: 276.132
• Hs Code.: 2922399090
• European Community (EC) Number: 675-752-1
• NSC Number: 263789
• UNII: 6RKF4M86QQ
• DSSTox Substance ID: DTXSID50192909
• Nikkaji Number: J367.696J
• Wikidata: Q72438436
• ChEMBL ID: CHEMBL1329934
• Mol file: 39859-36-4.mol

Synonyms:2-Benzoyl-4-bromoaniline;39859-36-4;2-Amino-5-bromobenzophenone;(2-Amino-5-bromophenyl)(phenyl)methanone;Methanone, (2-amino-5-bromophenyl)phenyl-;(2-amino-5-bromo-phenyl)-phenyl-methanone;(2-amino-5-bromophenyl)-phenylmethanone;5-Bromo-2-aminobenzophenone;MFCD00059962;NSC-263789;(2-Amino-5-bromophenyl)phenyl-methanone;NSC263789;NSC 263789;ChemDiv3_000136;6RKF4M86QQ;Oprea1_162737;SCHEMBL26738;2-amino-5-bromo benzophenone;MLS000419494;2-Amino-5-bromo-benzophenone;CHEMBL1329934;Benzophenone, 2-amino-5-bromo-;DTXSID50192909;HMS1473G04;HMS2598I24;STL088542;ZB0415;AKOS001483377;(2-Amino-5-bromophenyl)phenylmethanone;CCG-103201;DS-1940;IDI1_019454;NCGC00178641-01;(2-Amino-5-bromo-phenyl)phenyl-methanone;PD192514;SMR000320202;SY104011;(2-amino-5-bromo-phenyl)(phenyl)methanone;(2-Amino-5-bromophenyl)(phenyl)methanone #;CS-0127705;EU-0033496;FT-0611149;EN300-80767;SR-01000389603;SR-01000389603-1;BRD-K33190483-001-01-9;Z57173774;F1386-0357

Chemical Property of 2-Amino-5-bromobenzophenone

Chemical Property:

• Vapor Pressure: 2.04E-07mmHg at 25°C
• Melting Point: 109-113℃
• Refractive Index: 1.651
• Boiling Point: 424.624 °C at 760 mmHg
• PKA: -0.01±0.10(Predicted)
• Flash Point: 210.605 °C
• PSA: 43.09000
• Density: 1.484 g/cm³
• LogP: 3.84350
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 274.99458
• Heavy Atom Count: 16
• Complexity: 250

Purity/Quality:

97% ^*data from raw suppliers

(2-Amino-5-bromophenyl)phenyl-methanone ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Br)N
• Uses: 2-Amino-5-bromobenzophenone is a benzophenone (B204980) derivative that is widely used in the synthesis of pharmaceutical compounds.

Technology Process of 2-Amino-5-bromobenzophenone

There total 26 articles about 2-Amino-5-bromobenzophenone 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%

N-Bromosuccinimide (128-08-5) + (2-aminophenyl)(phenyl)methanone (2835-77-0) → 2-amino-5-bromobenzophenone (39859-36-4)

Guidance literature:

In dichloromethane; at 0 - 20 ℃;

Reference yield: 97.0%

5-Brom-3-phenyl-2,1-benzisoxazol (885-34-7) → 2-amino-5-bromobenzophenone (39859-36-4)

Guidance literature:

With trimethylsilyl iodide; water; In acetonitrile; at 20 ℃; for 0.25h;

Reference yield: 94.0%

2-amino-5-bromobenzonitrile (39263-32-6) + phenylboronic acid (98-80-6) → 2-amino-5-bromobenzophenone (39859-36-4)

Guidance literature:

With 5,5'-dimethyl-2,2'-bipyridine; methanesulfonic acid; palladium(II) trifluoroacetate; water; In 2-methyltetrahydrofuran; at 80 ℃; for 36h; Schlenk technique;

DOI:10.1039/c4ob00978a

upstream raw materials:

benzoyl chloride

(E)-3-Ureido-but-2-enoic acid ethyl ester

4-bromo-aniline

8-Bromo-6-phenyl-1,2,3,4-tetrahydro-1,4,5-benzotriazocin-2-one

Downstream raw materials:

2-(N-carbobenzoxyglycyl-glycyl)amido-5-bromobenzophenone

2-(N-carbobenzoxy-α-alanyl-glycyl)amido-5-bromobenzophenone

C₁₄H₁₄BrN₅*2ClH

6-Amino-hexanoic acid (2-benzoyl-4-bromo-phenyl)-amide; hydrochloride