621-38-5
3'-BROMOACETANILIDE
CAS: 621-38-5
Molecular Formula: C8H8BrNO
621-38-5 - Names and Identifiers
| Name | 3'-BROMOACETANILIDE |
| Synonyms | m-bromoacetanilide 3'-bromo-acetanilid 3'-BROMOACETANILIDE CHEMBRDG-BB 5475603 3'-Bromoacetoanilide Acetanilide, 3'-bromo- n-(3-bromophenyl)-acetamid Acetamide, N-(3-bromophenyl)- |
| CAS | 621-38-5 |
621-38-5 - Physico-chemical Properties
| Molecular Formula | C8H8BrNO |
| Molar Mass | 214.06 |
| Density | 1.5097 (rough estimate) |
| Melting Point | 87-89 °C |
| Boling Point | 349.2±25.0 °C(Predicted) |
| pKa | 14.45±0.70(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.6120 (estimate) |
| Physical and Chemical Properties | Chemical properties white needle-like crystals. Melting point 87.5 ℃. Melt in ethanol and ether, insoluble in water. |
| Use | Uses Organic synthesis intermediates. |
621-38-5 - Risk and Safety
| Hazard Class | IRRITANT |
621-38-5 - Upstream Downstream Industry
| Raw Materials | 3-Bromoaniline |
| Downstream Products | N-{5-bromo-2-nitrophenyl}acetamide 3-BROMO-4-NITROANILINE 5-bromo-2-nitrobenzenamine 1-BROMO-2,6-DICHLOROBENZENE 3-BROMO-4-CHLOROANILINE |
621-38-5 - Uses and synthesis methods
application
3-Bromoacetanilide can be used as an intermediate in pharmaceutical synthesis and an intermediate in organic synthesis, mainly used in laboratory research and development processes and chemical pharmaceutical synthesis processes.
Preparation
preparation of 3-bromoacetanilide: take 50mL of reaction flask, transfer 3-bromoacetophenone oxime (0.21g,1mmol) dissolved in 2mL of acetonitrile into the reaction flask, add bismuth trifluoromethanesulfonate (0.10g,0.15mmol) dissolved in 1mL of acetonitrile under stirring conditions, finally add 2-3mL of acetonitrile, and stir and react in an oil bath at 80 ℃. After the mixture of 3-bromophenylacetone oxime and bismuth trifluoromethanesulfonate was stirred, the solution immediately showed a slightly white suspension. TLC(DCM:100%) monitored the reaction until the reaction was complete, and the reaction lasted about 4 hours. Stop heating, spin the solvent with a rotary evaporator, then add water and DCM for extraction, combine organic phases, and dry with anhydrous Na2SO4. Filtration, concentration, column chromatography separation (DCM:100%), spin drying, pumping, weighing the dried product 3-bromoacetanilide and calculating the yield to 60%. mp86-88 ℃.
Production method
It is obtained by acetylation of m-bromoaniline and acetic anhydride. Mix m-bromoaniline and acetic acid evenly, then slowly add acetic anhydride, reflux reaction for 0.5h after adding, place for 0.5h, then pour into five times the amount of ice water, filter the precipitated crystals, and recrystallize with ethanol to obtain the finished product.
category
Toxic substances
Toxicity classification
Poisoning
Acute toxicity
abdominal cavity-mouse LD: > 500 mg/kg
flammability hazard characteristics
Thermal decomposition discharges toxic nitrogen oxides and bromide fumes
storage and transportation features
Warehouse ventilation low temperature drying
Fire extinguishing agent
Water, foam, sand, carbon dioxide, dry
Last Update：2024-04-09 21:54:55
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View History
Raw Materials for 621-38-5
Downstream Products for 621-38-5
N-{5-bromo-2-nitrophenyl}acetamide
3-BROMO-4-NITROANILINE
5-bromo-2-nitrobenzenamine
1-BROMO-2,6-DICHLOROBENZENE
3-BROMO-4-CHLOROANILINE
3-BROMO-4-NITROANILINE
5-bromo-2-nitrobenzenamine
1-BROMO-2,6-DICHLOROBENZENE
3-BROMO-4-CHLOROANILINE