2-Amino-4-bromobenzamide

Base Information

• Chemical Name: 2-Amino-4-bromobenzamide
• CAS No.: 112253-70-0
• Molecular Formula: C7H7BrN2O
• Molecular Weight: 215.049
• Hs Code.: 2924299090
• European Community (EC) Number: 870-622-2
• DSSTox Substance ID: DTXSID10550026
• Wikidata: Q72438373
• Mol file: 112253-70-0.mol

Synonyms:2-Amino-4-bromobenzamide;112253-70-0;2-amino-4-bromo-benzamide;MFCD12674809;Benzamide, 2-amino-4-bromo-;4-bromoanthranilic amide;SCHEMBL159651;DTXSID10550026;OFXMSVAQRRUVHA-UHFFFAOYSA-N;AKOS017552343;AB65645;AS-58126;SY227188;CS-0044167;C71405;A894623;W-204776

Chemical Property of 2-Amino-4-bromobenzamide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 176-177℃
• Boiling Point: 318.808oC at 760 mmHg
• PKA: 15.48±0.50(Predicted)
• Flash Point: 146.61oC
• PSA: 69.11000
• Density: 1.699g/cm3
• LogP: 2.41170
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 213.97418
• Heavy Atom Count: 11
• Complexity: 163

Purity/Quality:

97% ^*data from raw suppliers

2-Amino-4-bromobenzamide ^*data from reagent suppliers

Safty Information:

• Statements: 43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Br)N)C(=O)N
• Uses: 2-Amino-4-bromobenzamide is a useful synthetic compound.

Technology Process of 2-Amino-4-bromobenzamide

There total 7 articles about 2-Amino-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: 87.0%

7-bromo-1,2-dihydro-3,1-4H-benzoxazine-2,4-dione (76561-16-5) → 2-amino-4-bromobenzamide (112253-70-0)

Guidance literature:

With ammonium carbonate; In 1,4-dioxane; at 60 ℃; for 16h;

Reference yield: 85.0%

2-amino-4-bromobenzonitrile (304858-65-9) → 2-amino-4-bromobenzamide (112253-70-0)

Guidance literature:

With N-ethyl-N-hydroxy-ethanamine; water; at 100 ℃; for 5h;

DOI:10.3184/174751911X13133294115830

Reference yield: 81.0%

6-bromoisatin (6326-79-0) → 2-amino-4-bromobenzamide (112253-70-0)

Guidance literature:

With ammonium hydroxide; dihydrogen peroxide; In dimethyl sulfoxide; at 20 - 30 ℃; for 4h; Sealed tube;

DOI:10.1016/j.tet.2019.01.067

upstream raw materials:

2-amino-4-bromobenzoic acid

4-bromo-2-nitro-benzonitrile

2-amino-4-bromobenzonitrile

4-bromo-2-nitrobenzamide

Downstream raw materials:

7-bromoquinazolin-4(3H)-one

C₁₄H₉BrN₂O

C₂₀H₁₈BrN₃O₃

C₄₂H₄₂N₆O₅