Product Name

  • Name

    1-Bromoethyl acetate

  • EINECS 609-807-8
  • CAS No. 40258-78-4
  • Article Data8
  • CAS DataBase
  • Density 1.496 g/cm3
  • Solubility
  • Melting Point
  • Formula C4H7BrO2
  • Boiling Point 141.555 °C at 760 mmHg
  • Molecular Weight 167.002
  • Flash Point 68.548 °C
  • Transport Information
  • Appearance
  • Safety 24/25
  • Risk Codes
  • Molecular Structure Molecular Structure of 40258-78-4 (1-Bromoethyl acetate)
  • Hazard Symbols
  • Synonyms Ethanol,1-bromo-, acetate (6CI,7CI,9CI);1-Acetoxyethylbromide;a-Bromoethyl acetate;
  • PSA 26.30000
  • LogP 1.29040

Synthetic route

vinyl acetate
108-05-4

vinyl acetate

acetic acid
64-19-7

acetic acid

1-bromoethyl acetate
40258-78-4

1-bromoethyl acetate

Conditions
ConditionsYield
With hydrogen bromide In dichloromethane at 5 - 10℃; for 1.5h; Inert atmosphere;90.7%
vinyl acetate
108-05-4

vinyl acetate

1-bromoethyl acetate
40258-78-4

1-bromoethyl acetate

Conditions
ConditionsYield
With iron(III) oxide; tetrabromosilane In water at 12 - 20℃; for 0.5h; Temperature;89%
With hydrogen bromide; toluene-4-sulfonic acid at 15 - 25℃; for 4h; Reagent/catalyst; Temperature;85.7%
With hydrogen bromide at 35℃; for 1h;84%
Acetyl bromide
506-96-7

Acetyl bromide

paracetaldehyde
123-63-7

paracetaldehyde

1-bromoethyl acetate
40258-78-4

1-bromoethyl acetate

Conditions
ConditionsYield
With zinc(II) chloride at -5 - 5℃; for 5h; Temperature;80.06%
Acetyl bromide
506-96-7

Acetyl bromide

acetaldehyde
75-07-0

acetaldehyde

1-bromoethyl acetate
40258-78-4

1-bromoethyl acetate

Conditions
ConditionsYield
at 130℃;
1-bromoethyl acetate
40258-78-4

1-bromoethyl acetate

Cefuroxime
55268-75-2

Cefuroxime

cefuroxime axetil
64544-07-6

cefuroxime axetil

Conditions
ConditionsYield
With N,N-dimethyl-formamide; copper dichloride In ethyl acetate at 8 - 30℃; for 1.5h; Temperature; Concentration;98.2%
6-chloro-2-[5-hydroxy-2-(2-methoxyethoxymethoxy)biphenyl-3-yl]-1-methansulfonyl-1H-indole-5-carbonitrile
277313-34-5

6-chloro-2-[5-hydroxy-2-(2-methoxyethoxymethoxy)biphenyl-3-yl]-1-methansulfonyl-1H-indole-5-carbonitrile

1-bromoethyl acetate
40258-78-4

1-bromoethyl acetate

CRA-9076

CRA-9076

Conditions
ConditionsYield
With potassium carbonate; sodium iodide In acetonitrile at 20℃; for 18h;98%
1-bromoethyl acetate
40258-78-4

1-bromoethyl acetate

phenstatin
203448-32-2

phenstatin

C21H24O8

C21H24O8

Conditions
ConditionsYield
With potassium carbonate; potassium iodide In N,N-dimethyl-formamide at 20℃;98%
1-bromoethyl acetate
40258-78-4

1-bromoethyl acetate

(S)-ibuprofen
51146-56-6

(S)-ibuprofen

(S)-(+)-ibuprofen-1-acetoxy ethyl ester
1418602-99-9

(S)-(+)-ibuprofen-1-acetoxy ethyl ester

Conditions
ConditionsYield
With potassium hydrogencarbonate In acetone at 20 - 25℃;91.5%
1-bromoethyl acetate
40258-78-4

1-bromoethyl acetate

cefuroxime
97232-97-8

cefuroxime

trans-cefuroxime axetil
97232-96-7

trans-cefuroxime axetil

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 10℃; for 3h;91.5%
1-bromoethyl acetate
40258-78-4

1-bromoethyl acetate

(R)-ibuprofene
51146-57-7

(R)-ibuprofene

(R)-(-)-ibuprofen-1-acetoxy ethyl ester
1418602-98-8

(R)-(-)-ibuprofen-1-acetoxy ethyl ester

Conditions
ConditionsYield
With potassium hydrogencarbonate In acetone at 20 - 25℃;91.4%
1-bromoethyl acetate
40258-78-4

1-bromoethyl acetate

(S)-(+)-flurbiprofen
5104-49-4, 51543-38-5, 51543-39-6, 51543-40-9

(S)-(+)-flurbiprofen

2S-(+)-flurbiprofen axetil

2S-(+)-flurbiprofen axetil

Conditions
ConditionsYield
With N-benzyl-N,N,N-triethylammonium chloride; caesium carbonate In dichloromethane at 20℃; for 3h; Catalytic behavior; Reagent/catalyst; Solvent; Temperature;90.9%
With N-ethyl-N,N-diisopropylamine In acetone at 0 - 25℃; for 12h; Reagent/catalyst; Solvent; Concentration; Temperature;84.5%
1-bromoethyl acetate
40258-78-4

1-bromoethyl acetate

ibuprofen
15687-27-1

ibuprofen

ibuprofen-1-acetoxy ethyl ester
1418602-97-7

ibuprofen-1-acetoxy ethyl ester

Conditions
ConditionsYield
With potassium hydrogencarbonate In acetone at 20 - 25℃; Temperature; Time; Large scale;90.5%
1-bromoethyl acetate
40258-78-4

1-bromoethyl acetate

ALPROSTADIL
745-65-3

ALPROSTADIL

1-acetoxyethyl-7-(1R,2R,3R,)-3-hydroxy-2(E)-3(S)-3-hydroxy-1-octenyl-5-oxo cyclopentyl heptanoate

1-acetoxyethyl-7-(1R,2R,3R,)-3-hydroxy-2(E)-3(S)-3-hydroxy-1-octenyl-5-oxo cyclopentyl heptanoate

Conditions
ConditionsYield
Stage #1: ALPROSTADIL With 1,8-diazabicyclo[5.4.0]undec-7-ene In acetonitrile for 0.5h; Cooling with ice;
Stage #2: 1-bromoethyl acetate In acetonitrile at 20℃; for 20h; Reagent/catalyst; Solvent; Concentration;		86.7%
1-bromoethyl acetate
40258-78-4

1-bromoethyl acetate

combrestatin A4
117048-62-1, 117048-59-6

combrestatin A4

(Z)-ethyl-2-(2-methoxy-5-(3,4,5-trimethoxystyryl)phenoxy)acetate
1403383-57-2

(Z)-ethyl-2-(2-methoxy-5-(3,4,5-trimethoxystyryl)phenoxy)acetate

Conditions
ConditionsYield
With potassium carbonate In acetone for 8h; Reflux;85%
1-bromoethyl acetate
40258-78-4

1-bromoethyl acetate

1-tert-butyl (S)-2-{(E)-(S)-1-[(S)-2-(4-but-2-ynyloxyphenyl)-1-methoxycarbonylethylcarbamoyl]-10-oxoheptadec-2-enyl}-2-hydroxysuccinate

1-tert-butyl (S)-2-{(E)-(S)-1-[(S)-2-(4-but-2-ynyloxyphenyl)-1-methoxycarbonylethylcarbamoyl]-10-oxoheptadec-2-enyl}-2-hydroxysuccinate

1-tert-butyl 4-(1-acetoxyethyl) (S)-2-{(E)-(S)-1-[(S)-2-(4-but-2-ynyloxyphenyl)-1-methoxycarbonyl-ethylcarbamoyl]-10-oxo-heptadec-2-enyl}-2-hydroxy-succinate

1-tert-butyl 4-(1-acetoxyethyl) (S)-2-{(E)-(S)-1-[(S)-2-(4-but-2-ynyloxyphenyl)-1-methoxycarbonyl-ethylcarbamoyl]-10-oxo-heptadec-2-enyl}-2-hydroxy-succinate

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine; sodium iodide In dichloromethane at 20℃; for 6h; Inert atmosphere;81%
1-bromoethyl acetate
40258-78-4

1-bromoethyl acetate

Ketorolac
74103-06-3

Ketorolac

5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid-1-(acetoxy)ethyl ester

5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid-1-(acetoxy)ethyl ester

Conditions
ConditionsYield
With potassium carbonate In acetone at 20℃;80%
With potassium carbonate In acetone at 20℃;76%
1-bromoethyl acetate
40258-78-4

1-bromoethyl acetate

(6R,7R)-7-[2-furanyl-(Z)-2-methoxyimino]acetamido-3-carbamoyloxymethyl-3-cephem-4-carboxylic acid
69088-15-9

(6R,7R)-7-[2-furanyl-(Z)-2-methoxyimino]acetamido-3-carbamoyloxymethyl-3-cephem-4-carboxylic acid

(R)-cefuroxime 1-acetoxyethyl ester

(R)-cefuroxime 1-acetoxyethyl ester

Conditions
ConditionsYield
With copper dichloride In N,N-dimethyl acetamide at 2 - 20℃; for 1h;77.6%
1-bromoethyl acetate
40258-78-4

1-bromoethyl acetate

(1R,5S,6S)-2-[(1-(4-fluorobenzyl)azetidin-3-yl)thio]-6-[(R)-1-hydroxyethyl]-1-methyl-carbapen-2-em-3-carboxylic acid
878534-37-3

(1R,5S,6S)-2-[(1-(4-fluorobenzyl)azetidin-3-yl)thio]-6-[(R)-1-hydroxyethyl]-1-methyl-carbapen-2-em-3-carboxylic acid

1-(acetoxy)ethyl (1R,5S,6S)-2-[(1-(4-fluorobenzyl)azetidin-3-yl)thio]-6-[(R)-1-hydroxyethyl]-1-methyl-carbapen-2-em-3-carboxylate
1158510-27-0

1-(acetoxy)ethyl (1R,5S,6S)-2-[(1-(4-fluorobenzyl)azetidin-3-yl)thio]-6-[(R)-1-hydroxyethyl]-1-methyl-carbapen-2-em-3-carboxylate

Conditions
ConditionsYield
With tetrabutylammomium bromide; N-ethyl-N,N-diisopropylamine In ISOPROPYLAMIDE at 35℃; for 2h;77%
1-bromoethyl acetate
40258-78-4

1-bromoethyl acetate

1-tert-butyl (S)-2-{(E)-(S)-1-[(S)-2-(4-but-2-ynyloxy-phenyl)-1-carboxy-ethylcarbamoyl]-10-oxo-heptadec-2-enyl}-2-hydroxy-succinate

1-tert-butyl (S)-2-{(E)-(S)-1-[(S)-2-(4-but-2-ynyloxy-phenyl)-1-carboxy-ethylcarbamoyl]-10-oxo-heptadec-2-enyl}-2-hydroxy-succinate

C47H69NO14

C47H69NO14

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In dichloromethane for 19h; Inert atmosphere; Reflux;75%
1-bromoethyl acetate
40258-78-4

1-bromoethyl acetate

bezafibrate
41859-67-0

bezafibrate

C23H26ClNO6
1415335-09-9

C23H26ClNO6

Conditions
ConditionsYield
Stage #1: bezafibrate With sodium carbonate In N,N-dimethyl acetamide at 30℃; for 1h; Inert atmosphere;
Stage #2: 1-bromoethyl acetate In N,N-dimethyl acetamide at 30℃; for 3.5h; Inert atmosphere;		74%
1-bromoethyl acetate
40258-78-4

1-bromoethyl acetate

fenofibric acid
42017-89-0

fenofibric acid

2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropionic acid 1-acetoxyethyl ester
1319719-23-7

2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropionic acid 1-acetoxyethyl ester

Conditions
ConditionsYield
Stage #1: fenofibric acid With potassium carbonate In N,N-dimethyl acetamide at 32℃; for 1.5h; Inert atmosphere;
Stage #2: 1-bromoethyl acetate In N,N-dimethyl acetamide at -5 - 30℃; for 1h; Inert atmosphere;		69%
1-bromoethyl acetate
40258-78-4

1-bromoethyl acetate

4-methyl (S)-2-{(E)-(S)-1-[(S)-2-(4-but-2-ynyloxy-phenyl)-1-methoxycarbonyl-ethylcarbamoyl]-10-oxo-heptadec-2-enyl}-2-hydroxy-succinate

4-methyl (S)-2-{(E)-(S)-1-[(S)-2-(4-but-2-ynyloxy-phenyl)-1-methoxycarbonyl-ethylcarbamoyl]-10-oxo-heptadec-2-enyl}-2-hydroxy-succinate

4-methyl 1-(1-acetoxy-ethyl) (S)-2-{(E)-(S)-1-[(S)-2-(4-but-2-ynyloxy-phenyl)-1-methoxycarbonyl-ethylcarbamoyl]-10-oxo-heptadec-2-enyl}-2-hydroxy-succinate

4-methyl 1-(1-acetoxy-ethyl) (S)-2-{(E)-(S)-1-[(S)-2-(4-but-2-ynyloxy-phenyl)-1-methoxycarbonyl-ethylcarbamoyl]-10-oxo-heptadec-2-enyl}-2-hydroxy-succinate

Conditions
ConditionsYield
With tetra-(n-butyl)ammonium iodide; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; Inert atmosphere;68%
1-bromoethyl acetate
40258-78-4

1-bromoethyl acetate

(S)-(+)-flurbiprofen
5104-49-4, 51543-38-5, 51543-39-6, 51543-40-9

(S)-(+)-flurbiprofen

A

2S-(+)-flurbiprofen axetil

2S-(+)-flurbiprofen axetil

B

C19H19FO4

C19H19FO4

Conditions
ConditionsYield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In toluene at 0 - 25℃; for 4h; Reagent/catalyst; Solvent;A 63.4%
B n/a
...Expand
1-bromoethyl acetate
40258-78-4

1-bromoethyl acetate

Lithium all-cis-cyclononatetraenid

Lithium all-cis-cyclononatetraenid

Essigsaeure-(2,4,6,8-cyclononatetraenyl)methylester

Essigsaeure-(2,4,6,8-cyclononatetraenyl)methylester

Conditions
ConditionsYield
In tetrahydrofuran at -20℃; for 2h;61%
1-bromoethyl acetate
40258-78-4

1-bromoethyl acetate

2-(4-(3-(4,5-dichloro-1-methyl-1H-indole-2-carboxamido)oxetan-3-yl)phenyl)-2-(pyridin-3-yl)acetic acid

2-(4-(3-(4,5-dichloro-1-methyl-1H-indole-2-carboxamido)oxetan-3-yl)phenyl)-2-(pyridin-3-yl)acetic acid

1-acetoxyethyl 2-(4-(3-(4,5-dichloro-1-methyl-1H-indole-2-carboxamido)oxetan-3-yl)phenyl)-2-(pyridin-3-yl)acetate

1-acetoxyethyl 2-(4-(3-(4,5-dichloro-1-methyl-1H-indole-2-carboxamido)oxetan-3-yl)phenyl)-2-(pyridin-3-yl)acetate

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 50℃; for 2h; Inert atmosphere;54%
1-bromoethyl acetate
40258-78-4

1-bromoethyl acetate

C15H18F3NO5

C15H18F3NO5

C19H24F3NO7

C19H24F3NO7

Conditions
ConditionsYield
In acetone at 5 - 10℃; for 12h;49%
1-bromoethyl acetate
40258-78-4

1-bromoethyl acetate

Bumetanide
28395-03-1

Bumetanide

1-[3-(butylamino)-4-phenoxy-5-sulfamoylbenzoyloxy]ethyl acetate

1-[3-(butylamino)-4-phenoxy-5-sulfamoylbenzoyloxy]ethyl acetate

Conditions
ConditionsYield
With tetra-(n-butyl)ammonium iodide; potassium carbonate In N,N-dimethyl-formamide at 0 - 30℃; for 2h;48.9%
1-bromoethyl acetate
40258-78-4

1-bromoethyl acetate

C16H20F3NO5

C16H20F3NO5

C20H26F3NO7

C20H26F3NO7

Conditions
ConditionsYield
With potassium carbonate In acetone at 5 - 10℃; for 12h;42%
1-bromoethyl acetate
40258-78-4

1-bromoethyl acetate

(S)-2-{(E)-(S)-1-[(S)-2-(4-but-2-ynyloxyphenyl)-1-methoxycarbonylethylcarbamoyl]-10-oxoheptadec-2-enyl}-2-hydroxysuccinic acid

(S)-2-{(E)-(S)-1-[(S)-2-(4-but-2-ynyloxyphenyl)-1-methoxycarbonylethylcarbamoyl]-10-oxoheptadec-2-enyl}-2-hydroxysuccinic acid

1-(1-acetoxy-ethyl) (S)-2-{(E)-(S)-1-[(S)-2-(4-but-2-ynyloxy-phenyl)-1-methoxycarbonyl-ethylcarbamoyl]-10-oxo-heptadec-2-enyl}-2-hydroxy-succinate

1-(1-acetoxy-ethyl) (S)-2-{(E)-(S)-1-[(S)-2-(4-but-2-ynyloxy-phenyl)-1-methoxycarbonyl-ethylcarbamoyl]-10-oxo-heptadec-2-enyl}-2-hydroxy-succinate

Conditions
ConditionsYield
With sodium hydrogencarbonate In tetrahydrofuran at 20℃; Inert atmosphere;39%
1-bromoethyl acetate
40258-78-4

1-bromoethyl acetate

5-[4-(O2-ammonium diazen-1-ium-1,2-diolato)phenyl]-1-(4-methylsulfonylphenyl)-3-trifluoromethyl-1H-pyrazole

5-[4-(O2-ammonium diazen-1-ium-1,2-diolato)phenyl]-1-(4-methylsulfonylphenyl)-3-trifluoromethyl-1H-pyrazole

5-[4-(O2-(1-acetoxyethyl)diazen-1-ium-1,2-diolato)phenyl]-1-(4-methylsulfonylphenyl)-3-trifluoromethyl-1H-pyrazole
1245272-97-2

5-[4-(O2-(1-acetoxyethyl)diazen-1-ium-1,2-diolato)phenyl]-1-(4-methylsulfonylphenyl)-3-trifluoromethyl-1H-pyrazole

Conditions
ConditionsYield
With potassium carbonate In acetonitrile at 25℃; for 18h;37%
1-bromoethyl acetate
40258-78-4

1-bromoethyl acetate

N-Nitroethylamin-Kaliumsalz
67105-18-4

N-Nitroethylamin-Kaliumsalz

N-(1-Acetoxyethoxy)-N'-ethyldiazen-N-oxid
92667-21-5

N-(1-Acetoxyethoxy)-N'-ethyldiazen-N-oxid

Conditions
ConditionsYield
In acetonitrile for 18h; Ambient temperature;32%

1-Bromoethyl acetate Specification

The CAS register number of 1-Bromoethyl acetate is 40258-78-4. It also can be called as Ethanol, 1-bromo-,1-acetate and the systematic name about this chemical is Ethanol, 1-bromo-,1-acetate. The molecular formula about this chemical is C4H7BrO2 and the molecular weight is 167.00.

Physical properties about 1-Bromoethyl acetate are: (1)ACD/LogP: 1.17; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 5; (5)ACD/BCF (pH 7.4): 5; (6)ACD/KOC (pH 5.5): 110; (7)ACD/KOC (pH 7.4): 110; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 26.3Å2; (11)Index of Refraction: 1.451; (12)Molar Refractivity: 30.046 cm3; (13)Molar Volume: 111.603 cm3; (14)Polarizability: 11.911x10-24cm3; (15)Surface Tension: 32.053 dyne/cm; (16)Enthalpy of Vaporization: 37.874 kJ/mol; (17)Boiling Point: 141.555 °C at 760 mmHg; (18)Vapour Pressure: 5.824 mmHg at 25°C.

Uses of 1-Bromoethyl acetate: it can be used to produce Essigsaeure-(2,4,6,8-cyclononatetraenyl)methylester with Lithium-cyclononatetraenid at temperature of -20 ℃. This reaction will need solvent tetrahydrofuran with reaction time of 2 hours. The yield is about 61%.

You can still convert the following datas into molecular structure:
(1)SMILES: BrC(OC(=O)C)C
(2)InChI: InChI=1/C4H7BrO2/c1-3(5)7-4(2)6/h3H,1-2H3
(3)InChIKey: IIASCQBFNHWZBE-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C4H7BrO2/c1-3(5)7-4(2)6/h3H,1-2H3
(5)Std. InChIKey: IIASCQBFNHWZBE-UHFFFAOYSA-N

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