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Name	ethyl 7-chloro-2-oxoheptanoate	EINECS	278-992-1
CAS No.	78834-75-0	Density	1.093 g/cm³
PSA	43.37000	LogP	1.91780
Solubility	N/A	Melting Point	N/A
Formula	C₉H₁₅ClO₃	Boiling Point	281.2 °C at 760 mmHg
Molecular Weight	206.669	Flash Point	111.3 °C
Transport Information	N/A	Appearance	Slight green or slight yellow, clear Liquid
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	Ethyl 7-chloro-2-oxohepanoate;	Article Data	9

ethyl 7-chloro-2-oxoheptanoate Synthetic route

: 54512-75-3
1-bromo-5-chloropentane

: 95-92-1
oxalic acid diethyl ester

: 78834-75-0
ethyl-7-Chloro-2-oxoheptanoate

Conditions

Conditions	Yield
Stage #1: 1-bromo-5-chloropentane; oxalic acid diethyl ester In tetrahydrofuran at -25 - -10℃; for 1h; Inert atmosphere; Stage #2: With hydrogenchloride In tetrahydrofuran; water at 0℃; Reagent/catalyst; Inert atmosphere;	99.1%
Stage #1: 1-bromo-5-chloropentane With magnesium Stage #2: oxalic acid diethyl ester In tetrahydrofuran at -15℃; Stage #3: With hydrogenchloride In tetrahydrofuran Product distribution / selectivity;	90%
Grignard Reaction;

: 1174680-07-9
ethyl 7-chloro-α-hydroxyheptylate

: 78834-75-0
ethyl-7-Chloro-2-oxoheptanoate

Conditions

Conditions	Yield
With sodium hypochlorite; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; sodium hydrogencarbonate; potassium bromide In dichloromethane; water at -2 - 8℃; for 3h;	97%
With sodium hypochlorite; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; sodium hydrogencarbonate; potassium bromide In dichloromethane; water at -1 - 5℃; for 2.5h; Product distribution / selectivity;

: C9H16ClO6S(1-)*Na(1+)

: 78834-75-0
ethyl-7-Chloro-2-oxoheptanoate

Conditions

Conditions	Yield
With hydrogenchloride In water; toluene at 50 - 55℃; for 2h; Temperature; Solvent;	86.5%

: 64-17-5
ethanol

: C7H10ClNO

: 78834-75-0
ethyl-7-Chloro-2-oxoheptanoate

Conditions

Conditions	Yield
With sulfuric acid at 90℃; for 3.5h; Temperature;	78%

: 278605-08-6
5-chloro-n-pentylmagnesium bromide

: 95-92-1
oxalic acid diethyl ester

: 78834-75-0
ethyl-7-Chloro-2-oxoheptanoate

Conditions

Conditions	Yield
Stage #1: 5-chloro-n-pentylmagnesium bromide; oxalic acid diethyl ester In tetrahydrofuran at -30 - 5℃; Stage #2: With hydrogenchloride In tetrahydrofuran Product distribution / selectivity;	74%

: 1022895-93-7
ethyl (E)-7-chloro-2-((S)-2,2-dimethylcyclopropanecarboxamido)-2-heptenoate

A: 78834-75-0
ethyl-7-Chloro-2-oxoheptanoate

B: 75885-58-4
(S)-2,2-dimethylcyclopropanecarboxamide

Conditions

Conditions	Yield
Stage #1: ethyl (E)-7-chloro-2-((S)-2,2-dimethylcyclopropanecarboxamido)-2-heptenoate With toluene-4-sulfonic acid In dichloromethane at 20℃; Stage #2: With sodium hydroxide; water In dichloromethane pH=8 - 9; Product distribution / selectivity;
Stage #1: ethyl (E)-7-chloro-2-((S)-2,2-dimethylcyclopropanecarboxamido)-2-heptenoate With methanesulfonic acid In toluene at 30℃; Stage #2: With sodium hydroxide; water In toluene pH=8 - 9; Product distribution / selectivity;

: 2009-83-8
6-chloro-1-hexanol

: 78834-75-0
ethyl-7-Chloro-2-oxoheptanoate

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1.1: sodium hydrogencarbonate; sodium hypochlorite; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical / potassium bromide / dichloromethane; water / 0.83 h / -5 - 10 °C 2.1: sodium hydrogensulfite / water / 2.67 h / 5 °C 2.2: 12 h / 5 - 20 °C 3.1: hydrogenchloride; water / 140 h / 25 °C 4.1: sulfuric acid / Reflux 5.1: sodium hydrogencarbonate; sodium hypochlorite; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical / potassium bromide / dichloromethane; water / 2.5 h / -1 - 5 °C View Scheme

Yield

Multi-step reaction with 5 steps
1.1: sodium hydrogencarbonate; sodium hypochlorite; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical / potassium bromide / dichloromethane; water / 0.83 h / -5 - 10 °C
2.1: sodium hydrogensulfite / water / 2.67 h / 5 °C
2.2: 12 h / 5 - 20 °C
3.1: hydrogenchloride; water / 140 h / 25 °C
4.1: sulfuric acid / Reflux
5.1: sodium hydrogencarbonate; sodium hypochlorite; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical / potassium bromide / dichloromethane; water / 2.5 h / -1 - 5 °C
View Scheme

: 52387-36-7
6-chlorohexanal

: 78834-75-0
ethyl-7-Chloro-2-oxoheptanoate

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: sodium hydrogensulfite / water / 2.67 h / 5 °C 1.2: 12 h / 5 - 20 °C 2.1: hydrogenchloride; water / 140 h / 25 °C 3.1: sulfuric acid / Reflux 4.1: sodium hydrogencarbonate; sodium hypochlorite; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical / potassium bromide / dichloromethane; water / 2.5 h / -1 - 5 °C View Scheme
Multi-step reaction with 4 steps 1.1: water; sodium hydrogensulfite / 1 h / 35 °C 1.2: 0.5 h / 35 - 40 °C 2.1: water; potassium carbonate; dihydrogen peroxide / dimethyl sulfoxide / 5 h / 35 - 40 °C 3.1: sulfuric acid / 9 h / Reflux 4.1: sodium hydrogencarbonate; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; potassium bromide; sodium hypochlorite / water; dichloromethane / 3 h / -2 - 8 °C View Scheme

Yield

Multi-step reaction with 4 steps
1.1: sodium hydrogensulfite / water / 2.67 h / 5 °C
1.2: 12 h / 5 - 20 °C
2.1: hydrogenchloride; water / 140 h / 25 °C
3.1: sulfuric acid / Reflux
4.1: sodium hydrogencarbonate; sodium hypochlorite; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical / potassium bromide / dichloromethane; water / 2.5 h / -1 - 5 °C
View Scheme

Multi-step reaction with 4 steps
1.1: water; sodium hydrogensulfite / 1 h / 35 °C
1.2: 0.5 h / 35 - 40 °C
2.1: water; potassium carbonate; dihydrogen peroxide / dimethyl sulfoxide / 5 h / 35 - 40 °C
3.1: sulfuric acid / 9 h / Reflux
4.1: sodium hydrogencarbonate; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; potassium bromide; sodium hypochlorite / water; dichloromethane / 3 h / -2 - 8 °C
View Scheme

: 1174680-06-8
7-chloro-2-hydroxyheptanoic acid

: 78834-75-0
ethyl-7-Chloro-2-oxoheptanoate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: sulfuric acid / Reflux 2: sodium hydrogencarbonate; sodium hypochlorite; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical / potassium bromide / dichloromethane; water / 2.5 h / -1 - 5 °C View Scheme

: 1174680-05-7
7-chloro-α-hydroxyheptonitrile

: 78834-75-0
ethyl-7-Chloro-2-oxoheptanoate

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: hydrogenchloride; water / 140 h / 25 °C 2: sulfuric acid / Reflux 3: sodium hydrogencarbonate; sodium hypochlorite; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical / potassium bromide / dichloromethane; water / 2.5 h / -1 - 5 °C View Scheme
Multi-step reaction with 3 steps 1: water; potassium carbonate; dihydrogen peroxide / dimethyl sulfoxide / 5 h / 35 - 40 °C 2: sulfuric acid / 9 h / Reflux 3: sodium hydrogencarbonate; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; potassium bromide; sodium hypochlorite / water; dichloromethane / 3 h / -2 - 8 °C View Scheme

ethyl 7-chloro-2-oxoheptanoate Chemical Properties

The Molecular formula of ethyl 7-chloro-2-oxoheptanoate(78834-75-0): C₉H₁₅ClO₃
The Molecular Weight of ethyl 7-chloro-2-oxoheptanoate(78834-75-0): 206.67
The Molecular Structure of ethyl 7-chloro-2-oxoheptanoate(78834-75-0):

EINECS: 278-992-1
Boiling Point: 281.2 °C at 760 mmHg
Flash Point: 111.3 °C
Index of Refraction: 1.445
Molar Refractivity: 50.39 cm³
Molar Volume: 189 cm³
Polarizability: 19.97 10^-24 cm³
Surface Tension: 34.5 dyne/cm
Density: 1.093 g/cm³
Enthalpy of Vaporization: 52 kJ/mol
Vapour Pressure: 0.00361 mmHg at 25°C
IUPAC Name: ethyl 7-chloro-2-oxoheptanoate
Synonyms: ETHYL 7-CHLORO-2-OXOHEPTANOATE;7-Chloro-2-oxoheptanoic acid ethyl ester;Ethyl 7-Chloro-2-Otoheptanoate;

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