Pentanedioic acid, 2-bromo-, diethyl ester supplier

Name
2-BroMoglutaric acid diethylester
EINECS
CAS No. 7209-00-9
Article Data16
CAS DataBase
Density 1.351 g/cm³
Solubility
Melting Point
Formula C₉H₁₅BrO₄
Boiling Point 276.7 °C at 760 mmHg
Molecular Weight 267.12
Flash Point 121.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Diethyl 2-bromopentanedioate;
PSA 52.60000
LogP 1.65630

Synthetic route

: 108-55-4
glutaric anhydride,

: 7209-00-9
diethyl 2-bromoglutarate

Conditions

Conditions	Yield
anschliessend man bromiert und giesst in Alkohol;

: 110-94-1
1,5-pentanedioic acid

: 7209-00-9
diethyl 2-bromoglutarate

Conditions

Conditions	Yield
With thionyl chloride beim Behandeln des Reaktionsprodukts mit 2 Atomen Brom im Bogenlicht bei 60grad und Eingiessen in Alkohol;
With phosphorus pentachloride man erhitzt das Produkt mit Brom und giesst in Alkohol;

: 4344-84-7, 21461-84-7, 53558-93-3, 83829-70-3
5-oxo-tetrahydro-furan-2-carboxylic acid

: 64-17-5
ethanol

: 7209-00-9
diethyl 2-bromoglutarate

Conditions

Conditions	Yield
With hydrogen bromide
With hydrogen bromide

: 2873-74-7
gloutaric dichloride

: 64-17-5
ethanol

: 7209-00-9
diethyl 2-bromoglutarate

Conditions

Conditions	Yield
With bromine
(i) Br2, PCl3, (ii) /BRN= 1718733/; Multistep reaction;

: 64-17-5
ethanol

: 1070-62-8
5-ethoxy-5-oxopentanoic acid

: 7209-00-9
diethyl 2-bromoglutarate

Conditions

Conditions	Yield
(i) SOCl2, (ii) Br2, (iii) /BRN= 1718733/; Multistep reaction;

: 64-17-5
ethanol

: 42875-51-4
α-bromoglutaryl chloride

: 7209-00-9
diethyl 2-bromoglutarate

Conditions

Conditions	Yield
at 0℃; for 1.5h; Yield given;

monoethyl glutarate: monoethyl glutarate

: 7209-00-9
diethyl 2-bromoglutarate

Conditions

Conditions	Yield
With thionyl chloride; bromine bei anschliessendem Behandeln mit Aethanol bei Raumtemperatur;

: 2873-74-7
gloutaric dichloride

: 7209-00-9
diethyl 2-bromoglutarate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: Br2 / 60 °C / Irradiation; 1.) 60 deg C, irradiation, 2 h, 2.) 60 deg C, 3 h; r.t., 1 h 2: 1.5 h / 0 °C View Scheme

: 818-38-2
Diethyl glutarate

: 7209-00-9
diethyl 2-bromoglutarate

Conditions

Conditions	Yield
Stage #1: Diethyl glutarate With potassium hydroxide Stage #2: With thionyl chloride; bromine

: 1070-62-8
5-ethoxy-5-oxopentanoic acid

: 7209-00-9
diethyl 2-bromoglutarate

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: thionyl chloride / 4 h / Inert atmosphere; Reflux 2: bromine / 5 h / Reflux; Inert atmosphere 3: 10 °C / Inert atmosphere View Scheme

: 5205-39-0
ethyl glutaroyl chloride

: 7209-00-9
diethyl 2-bromoglutarate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: bromine / 5 h / Reflux; Inert atmosphere 2: 10 °C / Inert atmosphere View Scheme

: 64-17-5
ethanol

: C7H10BrClO3

: 7209-00-9
diethyl 2-bromoglutarate

Conditions

Conditions	Yield
at 10℃; Inert atmosphere;

: 64-17-5
ethanol

: 51528-22-4
2-bromopentanedioic acid

: 7209-00-9
diethyl 2-bromoglutarate

Conditions

Conditions	Yield
With thionyl chloride at 20℃; for 48h; Cooling with ice;	19.5 g

: 617-65-2
Glutamic acid

: 7209-00-9
diethyl 2-bromoglutarate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: sodium bromide; hydrogen bromide; sodium nitrite / 2.83 h / -5 - 0 °C 2: thionyl chloride / 48 h / 20 °C / Cooling with ice View Scheme

: 2873-74-7
gloutaric dichloride

: 64-17-5
ethanol

A: 870-78-0
2,4-dibromoglutaric acid diethyl ester

B: 7209-00-9
diethyl 2-bromoglutarate

Conditions

Conditions	Yield
Stage #1: gloutaric dichloride With bromine; sodium thiosulfate; sodium hydroxide at 85℃; for 4.5h; Irradiation; Stage #2: ethanol at 0 - 20℃; Inert atmosphere;	A n/a B 6.34 g

...Expand

: 110-94-1
1,5-pentanedioic acid

A: 870-78-0
2,4-dibromoglutaric acid diethyl ester

B: 7209-00-9
diethyl 2-bromoglutarate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: thionyl chloride / 4 h / 60 - 70 °C 2.1: sodium hydroxide; sodium thiosulfate; bromine / 4.5 h / 85 °C / Irradiation 2.2: 0 - 20 °C / Inert atmosphere View Scheme

: 7209-00-9
diethyl 2-bromoglutarate

: 507-09-5
thioacetic acid

: 222046-89-1
diethyl 2-acetylsulfanylpentanedioic acid

Conditions

Conditions	Yield
With sodium ethanolate In ethanol for 2h;	90%
With sodium ethanolate In ethanol at 0 - 20℃; Inert atmosphere;

: 7209-00-9
diethyl 2-bromoglutarate

: 78668-34-5
3,6,9,15-tetraazabicyclo[9.3.1]pentadeca-1(14),11(15),12-triene

: C38H60N4O12

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile at 65℃; for 24h;	73%

: 7209-00-9
diethyl 2-bromoglutarate

: 794513-47-6
(4-methoxy-9H-xanthen-9-yl)methylamine

: diethyl N-[(4-methoxy-9H-xanthen-9-yl)methyl]glutamate

Conditions

Conditions	Yield
With sodium carbonate at 105℃; for 2.5h;	69%

: 2338-12-7
5-nitrobenzotriazole

: 7209-00-9
diethyl 2-bromoglutarate

A diethyl 2-(5-nitro-1H-benzo[d][1,2,3]triazol-1-yl)pentanedioate: diethyl 2-(5-nitro-1H-benzo[d][1,2,3]triazol-1-yl)pentanedioate

B: diethyl 2-(5-nitro-2H-benzo[d][1,2,3]triazol-2-yl)pentanedioate

C: diethyl 2-(6-nitro-1H-benzo[d][1,2,3]triazol-1-yl)pentanedioate

Conditions

Conditions	Yield
With triethylamine In N,N-dimethyl-formamide at 100℃; for 4h;	A 32% B 32% C 22%

...Expand

: 7251-97-0
diethyl 2-cyanoglutarate

: 7209-00-9
diethyl 2-bromoglutarate

: 855910-83-7
3-cyano-hexane-1,3,4,6-tetracarboxylic acid tetraethyl ester

Conditions

Conditions	Yield
With sodium ethanolate

: 5466-06-8
3-mercaptopropionic acid ethyl ester

: 7209-00-9
diethyl 2-bromoglutarate

: 2-(2-ethoxycarbonyl-ethylsulfanyl)-glutaric acid diethyl ester

Conditions

Conditions	Yield
With sodium ethanolate at 0 - 15℃; zuletzt bei Siedetemperatur;
With sodium ethanolate at 0 - 15℃; zuletzt bei Siedetemperatur;

: 7209-00-9
diethyl 2-bromoglutarate

: 2832-14-6
triethyl 1,1,3-propanetricarboxylate

: hexane-1,3,3,4,6-pentacarboxylic acid pentaethyl ester

Conditions

Conditions	Yield
With ethanol; sodium ethanolate

: 7209-00-9
diethyl 2-bromoglutarate

: 996-82-7
sodium diethylmalonate

: 921-78-8
butane-1,1,2,4-tetracarboxylic acid tetraethyl ester

: 7209-00-9
diethyl 2-bromoglutarate

: 1074-82-4
potassium phtalimide

: 617-65-2
Glutamic acid

: 7209-00-9
diethyl 2-bromoglutarate

: 10387-40-3
potassium thioacetate

: 222046-89-1
diethyl 2-acetylsulfanylpentanedioic acid

Conditions

Conditions	Yield
With ethanol

: 7209-00-9
diethyl 2-bromoglutarate

: 628-48-8
glutaconic acid

Conditions

Conditions	Yield
With potassium hydroxide

: 7209-00-9
diethyl 2-bromoglutarate

: 2889-31-8
2-hydroxyglutaric acid

Conditions

Conditions	Yield
With potassium hydroxide inactive α-oxy-glutaric acid;

: 7209-00-9
diethyl 2-bromoglutarate

A: 2889-31-8
2-hydroxyglutaric acid

: 58616-95-8
trans-1,2-cyclopropanedicarboxylic acid

Conditions

Conditions	Yield
With sodium carbonate inactive α-oxy-glutaric acid;

: 7209-00-9
diethyl 2-bromoglutarate

: 58616-95-8
trans-1,2-cyclopropanedicarboxylic acid

Conditions

Conditions	Yield
With potassium carbonate
With N,N-diethylaniline
With potassium carbonate
With potassium hydroxide; sodium carbonate

: 7209-00-9
diethyl 2-bromoglutarate

: 105-56-6
ethyl 2-cyanoacetate

: 1-cyano-butane-1,2,4-tricarboxylic acid triethyl ester

Conditions

Conditions	Yield
With sodium ethanolate

: 7209-00-9
diethyl 2-bromoglutarate

: 609-08-5
Diethyl methylmalonate

: pentane-1,3,4,4-tetracarboxylic acid tetraethyl ester

: 7209-00-9
diethyl 2-bromoglutarate

: 139-02-6
sodium phenoxide

: 94112-24-0
2-Phenoxy-glutarsaeure-diaethylester

Conditions

Conditions	Yield
In ethanol

: 7209-00-9
diethyl 2-bromoglutarate

: 4549-72-8
sodium o-cresolate

: 93164-30-8
ethyl 4-carbethoxy-4-(2-methylphenoxy)butyrate

Conditions

Conditions	Yield
In ethanol

: 54149-30-3
hydroxycarbamic acid ethyl ester; potassium salt

: 7209-00-9
diethyl 2-bromoglutarate

: 91691-39-3
α-Ethoxycarbonylaminooxy-glutarsaeurediethylester

Conditions

Conditions	Yield
With potassium hydroxide In ethanol Heating;

: 7209-00-9
diethyl 2-bromoglutarate

: 90609-42-0
ethyl α-nitroglutarate

Conditions

Conditions	Yield
With sodium nitrite In N,N-dimethyl-formamide

: 7209-00-9
diethyl 2-bromoglutarate

: 90769-17-8
2-Azido-glutarsaeure-diethylester

Conditions

Conditions	Yield
With sodium azide In ethanol Heating;

: 7209-00-9
diethyl 2-bromoglutarate

: 70630-56-7
Hydroxyglutamic Acid

Conditions

Conditions	Yield
(i) benzaldehyde (Z)-oxime, NaOEt, EtOH, (ii) aq. HCl; Multistep reaction;

: 7209-00-9
diethyl 2-bromoglutarate

: N-Hydroxy-glutaminsaeure-monoaethylester

Conditions

Conditions	Yield
(i) benzaldehyde (Z)-oxime, NaOEt, EtOH, (ii) aq. HCl; Multistep reaction;

: 7209-00-9
diethyl 2-bromoglutarate

: 141-97-9
ethyl acetoacetate

: 1113-80-0
1,3,4-Tricarbonsaeure-triaethylester-5-oxo-hexan

Conditions

Conditions	Yield
With sodium ethanolate

: 7209-00-9
diethyl 2-bromoglutarate

: 504-02-9
1,3-cylohexanedione

: 1157-58-0
(+/-)-2-<2,6-Dioxo-cyclohexyl>-glutarsaeure-diethylester

Conditions

Conditions	Yield
With sodium ethanolate

Pentanedioic acid, 2-bromo-, diethyl ester Specification

The Pentanedioic acid, 2-bromo-, diethyl ester has the CAS registry number 7209-00-9. This chemical's molecular formula is C₉H₁₅BrO₄ and molecular weight is 267.12. What's more, its systematic name is Diethyl 2-bromopentanedioate.

Physical properties of Pentanedioic acid, 2-bromo-, diethyl ester are: (1)ACD/LogP: 2.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.53; (4)ACD/LogD (pH 7.4): 2.53; (5)ACD/BCF (pH 5.5): 49.1; (6)ACD/BCF (pH 7.4): 49.1; (7)ACD/KOC (pH 5.5): 565.02; (8)ACD/KOC (pH 7.4): 565.02; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.468; (14)Molar Refractivity: 54.98 cm³; (15)Molar Volume: 197.6 cm³; (16)Polarizability: 21.79×10^-24cm³; (17)Surface Tension: 37.5 dyne/cm; (18)Density: 1.351 g/cm³; (19)Flash Point: 121.1 °C; (20)Enthalpy of Vaporization: 51.52 kJ/mol; (21)Boiling Point: 276.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00473 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: BrC(C(=O)OCC)CCC(=O)OCC
(2)InChI: InChI=1/C9H15BrO4/c1-3-13-8(11)6-5-7(10)9(12)14-4-2/h7H,3-6H2,1-2H3
(3)InChIKey: OXJSWZSWGJACGU-UHFFFAOYSA-N

Product Name

2-BroMoglutaric acid diethylester

Synthetic route

Pentanedioic acid, 2-bromo-, diethyl ester Specification

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