4-Bromobenzamide

Base Information

• Chemical Name: 4-Bromobenzamide
• CAS No.: 698-67-9
• Molecular Formula: C7H6BrNO
• Molecular Weight: 200.035
• Hs Code.: 29242990
• European Community (EC) Number: 211-817-9
• NSC Number: 404792
• UNII: Q5Y2274MYS
• DSSTox Substance ID: DTXSID90220098
• Nikkaji Number: J87F
• Wikidata: Q83097192
• ChEMBL ID: CHEMBL339059
• Mol file: 698-67-9.mol

Synonyms:4-Bromobenzamide;698-67-9;Benzamide, 4-bromo-;p-Bromobenzamide;Benzamide, p-bromo-;4-Bromo-benzamide;p-Bromobenzoic acid amide;MFCD00007991;C7H6BrNO;EINECS 211-817-9;NSC 404792;BRN 1859981;CHEMBL339059;NSC-404792;4-09-00-01023 (Beilstein Handbook Reference);4-Bromo benzamide;NSC404792;4-Bromobenzamide, 97%;4-bromobenzoic acid amide;DIMETHYLTINDILAURATE;SCHEMBL615632;Q5Y2274MYS;DTXSID90220098;AMY39188;STR03150;BDBM50106186;STL367696;AKOS000202550;CS-W004151;SB77820;LS-25838;SY020099;B4216;FT-0617857;EN300-15620;F10314;AE-562/42287617;Z33546526

Chemical Property of 4-Bromobenzamide

Chemical Property:

• Appearance/Colour: white fine crystalline powder
• Vapor Pressure: 0.000621mmHg at 25°C
• Melting Point: 190-193 °C(lit.)
• Refractive Index: 1.605
• Boiling Point: 309.9 °C at 760 mmHg
• PKA: 15.71±0.50(Predicted)
• Flash Point: 141.2 °C
• PSA: 43.09000
• Density: 1.609 g/cm³
• LogP: 2.24830
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 198.96328
• Heavy Atom Count: 10
• Complexity: 130

Purity/Quality:

4-Bromobenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)N)Br
• Uses: 4-Bromobenzamide was used in the preparation of (N-benzylpiperidin-4-yl)-4-tri-n-butylstannylbenzamide.

Technology Process of 4-Bromobenzamide

There total 72 articles about 4-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: 99.0%

4-bromobenzenecarbonitrile (623-00-7) → p-bromobenzamide (698-67-9)

Guidance literature:

With dichloro( 1,5-cyclooctadiene)platinum(ll); 4,5-dihydro-3H-dinaphtho[2,1-c:1',2'-e]phosphepine-4-oxide; water; silver nitrate; In tert-Amyl alcohol; at 80 ℃; for 1h; Reagent/catalyst; Time; chemoselective reaction; Catalytic behavior;

DOI:10.1039/c5cy00627a

Reference yield: 97.0%

4-bromobenzenemethanol (873-75-6) → p-bromobenzamide (698-67-9)

Guidance literature:

With tert.-butylhydroperoxide; ammonia; oxygen; In water; N,N-dimethyl-formamide; at 80 ℃; for 5h; under 1520.1 Torr; Green chemistry;

DOI:10.1039/c4nj01457j

Reference yield: 94.0%

4-bromo-benzaldehyde (1122-91-4) → p-bromobenzamide (698-67-9)

Guidance literature:

With C₁₇H₁₇BrClN₂RuSe⁽¹⁺⁾*F₆P^(1-); hydroxylamine hydrochloride; sodium hydroxide; In toluene; at 100 ℃; for 12h; Reagent/catalyst; Solvent; Temperature;

DOI:10.1016/j.jorganchem.2018.09.019

upstream raw materials:

4-methoxycarbonylphenyl bromide

4-chlorobenzoyl chloride

(4-bromo-benzoyl)-imidosulfurous acid dichloride

N-Chlor-N'-p-brombenzoylacetamidin

Downstream raw materials:

1-(4-bromophenyl)-2-phenyl-ethan-1-one

4-bromo-benzoic acid-(trichlorophosphoranyliden-amide)

4-bromobenzenecarbonitrile

(4-bromo-benzoyl)-amidophosphoryl chloride

Refernces

• 1、 Ben-David, Yehoshoa,Diskin-Posner, Yael,Kar, Sayan,Milstein, David,Zhou, Quan-Quan,Zou, You-Quan. "Manganese-Pincer-Catalyzed Nitrile Hydration, α-Deuteration, and α-Deuterated Amide Formation via Metal Ligand Cooperation". . p. 10239 - 10245. Retrieved 2021/08/24.
• 2、 Rahman, Taskia,Borah, Geetika,Gogoi, Pradip K. "Activated Mont K10-Carbon supported Fe2O3: A versatile catalyst for hydration of nitriles to amides and reduction of nitro compounds to amines in aqueous media". . . Retrieved 2021/03/14.