n-Bromoacetamide

Base Information

• Chemical Name: n-Bromoacetamide
• CAS No.: 79-15-2
• Molecular Formula: C2H4BrNO
• Molecular Weight: 137.964
• Hs Code.: 29299090
• European Community (EC) Number: 201-181-0
• UN Number: 3261
• UNII: 0AQ6MWH7ZB
• DSSTox Substance ID: DTXSID5024633
• Nikkaji Number: J4.228E
• Wikidata: Q27236544
• ChEMBL ID: CHEMBL1256514
• Mol file: 79-15-2.mol

Synonyms:N-bromoacetamide

Chemical Property of n-Bromoacetamide

Chemical Property:

• Appearance/Colour: White to yellowish powder
• Melting Point: 102-105°C
• Refractive Index: 1.474
• Boiling Point: 127-130 °C(Press: 16 Torr)
• PKA: 9.41±0.46(Predicted)
• PSA: 29.10000
• Density: 1.71 g/cm³
• LogP: 0.82330
• Storage Temp.: −20°C
• Solubility.: very slightly in Chloroform
• Water Solubility.: Soluble in water.
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 136.94763
• Heavy Atom Count: 5
• Complexity: 44.9
• Transport DOT Label: Corrosive

Purity/Quality:

99% ^*data from raw suppliers

N-bromoacetamide ^*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)NBr
• Uses: Abolishes the rapid inactivation of membrane sodium- and potassium-ion channels. N-bromoacetamide annihilates the rapid inactivation of membrane sodium-ion channels. Also functions in the kinetics of cardiac sodium ion channels.

Technology Process of n-Bromoacetamide

There total 9 articles about n-Bromoacetamide 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: 90.0%

acetamide (60-35-5) → N-bromoacetamide (79-15-2)

Guidance literature:

With sodium bromate; sulfuric acid; sodium bromide; In water; for 0.5h; Ambient temperature;

DOI:10.1246/bcsj.66.2426

Reference yield:

N,N-dibromoacetamide (598-93-6) + water (7732-18-5) → acetamide (60-35-5) + hypobromous acid (15656-19-6,13517-11-8) + N-bromoacetamide (79-15-2)

Guidance literature:

beim Kochen;

Reference yield:

sodium acetylamide (2620-30-6) → N-bromoacetamide (79-15-2)

Guidance literature:

With bromine; In water;

DOI:10.1016/0022-328X(87)80163-8

upstream raw materials:

acetamide

N,N-dibromoacetamide

sodium acetylamide

ent-13-Acetoxy-3-oxo-20-norgibberella-1⁽¹⁰⁾,16-diene-7,19-dioic acid 7,19-dimethyl ester

Downstream raw materials:

2-bromothiophene

2,5-dibromothiophen

1-phenyl-propan-1-one

N-Bromosuccinimide

Refernces

• 1、 Whitehead, Daniel C.,Fhaner, Matthew,Borhan, Babak. "A peptide bromoiodinane approach for asymmetric bromolactonization". supporting information; experimental part. p. 2288 - 2291. Retrieved 2011/05/16.
• 2、 Beale, Michael H.,Loaring, Huw,Peakman, Torren,Penny, Martin,Willis, Christine L.. "Unusual reactions of methylsulfonyl esters: Syntheses of 3α-methyl and 3β-methyl gibberellin A20". . p. 433 - 442. Retrieved 2007/10/03.