2-Bromobenzamide

Base Information

• Chemical Name: 2-Bromobenzamide
• CAS No.: 4001-73-4
• Molecular Formula: C7H6BrNO
• Molecular Weight: 200.035
• Hs Code.: 29242990
• European Community (EC) Number: 223-650-9
• NSC Number: 10071
• UNII: 84VHS7LS88
• DSSTox Substance ID: DTXSID50193077
• Nikkaji Number: J194E
• Wikidata: Q83065791
• ChEMBL ID: CHEMBL1878709
• Mol file: 4001-73-4.mol

Synonyms:o-bromobenzamide

Chemical Property of 2-Bromobenzamide

Chemical Property:

• Appearance/Colour: Beige powder
• Vapor Pressure: 0.0013mmHg at 25°C
• Melting Point: 160-162 °C(lit.)
• Refractive Index: 1.605
• Boiling Point: 298 °C at 760 mmHg
• PKA: 15.36±0.50(Predicted)
• Flash Point: 134 °C
• PSA: 43.09000
• Density: 1.609 g/cm³
• LogP: 2.24830
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Slightly soluble in water.
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 198.96328
• Heavy Atom Count: 10
• Complexity: 138

Purity/Quality:

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

2-Bromobenzamide ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=O)N)Br
• Uses: 2-Bromobenzamide has been used in microwave assisted one-pot synthesis of substituted 3-(phenylmethylene)isoindolin-1-ones, palladium-catalyzed synthesis of phenanthridinones and in the synthesis of new water-soluble iminophosphorane ligand. 2-Bromobenzamide has been used in:microwave assisted one-pot synthesis of substituted 3-(phenylmethylene)isoindolin-1-ones palladium-catalyzed synthesis of phenanthridinonessynthesis of new water-soluble iminophosphorane ligand

Technology Process of 2-Bromobenzamide

There total 22 articles about 2-Bromobenzamide 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: 98.0%

o-cyanobromobenzene (2042-37-7) → 2-Bromobenzamide (4001-73-4)

Guidance literature:

With [RuH(tBu-PNP(-))(CO)]; water; In tert-butyl alcohol; at 50 ℃; for 48h;

DOI:10.1039/c9sc04624k

Reference yield: 97.0%

2-bromobenzaldehyde oxime (34158-72-0,52707-51-4,52707-56-9) → 2-Bromobenzamide (4001-73-4)

Guidance literature:

With C₅₅H₄₅ClN₅P₂Ru⁽¹⁺⁾*Cl^(1-); In water; at 110 ℃; for 12h; Sealed tube;

DOI:10.1039/c6ra07515k

Reference yield: 95.0%

2-bromobenzoic-acid (88-65-3) → 2-Bromobenzamide (4001-73-4)

Guidance literature:

2-bromobenzoic-acid; With thionyl chloride; Reflux;

With ammonium hydroxide; In water; acetonitrile; at 20 ℃; for 1h;

DOI:10.1002/cmdc.202100282

upstream raw materials:

2-bromobenzoic acid chloride

2'-bromo-2-phenylacetophenone

2-bromobenzoic acid methyl ester

2-bromobenzoic-acid

Downstream raw materials:

ethyl 2-bromobenzimidate

(4S,5S)-4,5-dihydro-2-(2'-bromophenyl)-4-(hydroxymethyl)-5-phenyloxazole

2-Bromo-N-[(2,2-dimethyl-4,6-dioxo-[1,3]dioxan-5-ylidene)-methylsulfanyl-methyl]-benzamide

2-(2-bromophenyl)acetonitrile

Refernces

• 1、 Chen, Xuenian,Kang, Jia-Xin,Ma, Yan-Na,Miao, Yu-Qi. "Visible light-mediated synthesis of amides from carboxylic acids and amine-boranes". supporting information. p. 3595 - 3599. Retrieved 2021/06/06.
• 2、 -. "Efficient nitriding reagent and application thereof". Paragraph 0312-0314. . Retrieved 2021/03/31.