2'-Bromoacetanilide

Base Information

• Chemical Name: 2'-Bromoacetanilide
• CAS No.: 614-76-6
• Molecular Formula: C8H8BrNO
• Molecular Weight: 214.062
• Hs Code.: 29242990
• European Community (EC) Number: 627-343-4
• DSSTox Substance ID: DTXSID10210330
• Nikkaji Number: J29.484E
• Wikidata: Q83085004
• Mol file: 614-76-6.mol

Synonyms:2'-Bromoacetanilide;N-(2-Bromophenyl)acetamide;614-76-6;Acetamide, N-(2-bromophenyl)-;o-Bromoacetanilide;Acetanilide, 2'-bromo-;MFCD00099252;N-(2-bromo-phenyl)-acetamide;o-bromo acetanilide;ortho-bromoacetanilide;2/'-Bromoacetanilide;2-Bromo-N-acetylaniline;2'-Bromoacetanilide, 96%;2-bromo-1-acetylaminobenzene;SCHEMBL422636;2-bromo-1-acetylamino-benzene;N-(2-Bromophenyl)acetamide #;DTXSID10210330;HMS1666E10;AKOS000173478;AM84930;SS-3087;AC-28505;SY034454;2 inverted exclamation mark -Bromoacetanilide;B3139;BB 0267988;CS-0089804;FT-0632565;EN300-78576;10.14272/VOBKUOHHOWQHFZ-UHFFFAOYSA-N;H10022;AI-942/04429053;doi:10.14272/VOBKUOHHOWQHFZ-UHFFFAOYSA-N;Z27784711

Chemical Property of 2'-Bromoacetanilide

Chemical Property:

• Melting Point: 96.5-100.5 °C(lit.)
• Boiling Point: 346.8 °C at 760 mmHg
• PKA: 14.19±0.70(Predicted)
• Flash Point: 163.5 °C
• PSA: 29.10000
• Density: 1.543 g/cm³
• LogP: 2.48050
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 212.97893
• Heavy Atom Count: 11
• Complexity: 149

Purity/Quality:

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

2''-Bromoacetanilide ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)NC1=CC=CC=C1Br
• Uses: 2''-Bromoacetanilide is used as a reagent in the preparation of furan-2-ylmethylene thiazolidinediones as novel, potent, and selective inhibitors of phosphoinositide 3-kinase γ.

Technology Process of 2'-Bromoacetanilide

There total 29 articles about 2'-Bromoacetanilide 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%

acetic anhydride (108-24-7) + 2-bromoaniline (615-36-1) → N-acetyl-2-bromoaniline (614-76-6)

Guidance literature:

for 0.5h; Heating;

DOI:10.1021/jm021123s

Reference yield: 98.0%

2-nitrophenyl bromide (577-19-5) + acetic anhydride (108-24-7) → N-acetyl-2-bromoaniline (614-76-6)

Guidance literature:

With indium; acetic acid; In methanol; at 20 ℃; for 1.5h;

DOI:10.1016/S0040-4039(02)02479-6

Reference yield: 97.0%

acetyl chloride (75-36-5) + 2-bromoaniline (615-36-1) → N-acetyl-2-bromoaniline (614-76-6)

Guidance literature:

DOI:10.1016/S0040-4039(03)01469-2

upstream raw materials:

acetyl chloride

2-bromoaniline

Acetanilid

acetic anhydride

Downstream raw materials:

N-(2-vinylphenyl)acetamide

N-(2-bromophenyl)-N-methyl-p-toluenesulfonamide

2-<2-(2-naphthyl)vinyl>acetanilide

(E)-N-(2-(2-cyanovinyl)phenyl)acetamide

Refernces

• 1、 Wang, Hao,Wu, Qi,Zhang, Jian-Dong,Li, Hai-Yan,Li, Hong-Xi. "Photocatalyst- And Transition-Metal-Free Visible-Light-Promoted Intramolecular C(sp2)-S Formation". supporting information. p. 2078 - 2083. Retrieved 2021/04/05.
• 2、 Kianmehr, Ebrahim,Afaridoun, Hadi. "Nickel(II)- And Silver(I)-Catalyzed C-H Bond Halogenation of Anilides and Carbamates". supporting information. p. 1513 - 1523. Retrieved 2020/12/14.