3-Hydroxypentanedioic acid supplier

Name
3-Hydroxyglutaric Acid
EINECS
CAS No. 638-18-6
Article Data21
CAS DataBase
Density 1.508 g/cm³
Solubility
Melting Point 94-96°C
Formula C₅H₈O₅
Boiling Point 364.958 °C at 760 mmHg
Molecular Weight 148.116
Flash Point 188.705 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Hydroxyglutaric acid;b-Hydroxyglutaric acid;2,4-Dideoxypentaric acid;Glutaricacid, 3-hydroxy- (7CI,8CI);
PSA 94.83000
LogP -0.70330

Synthetic route

: 7250-55-7
dimethyl 3-hydroxypentanedioate

: 638-18-6
diethyl 3-hydroxypentanedioate

Conditions

Conditions	Yield
With potassium hydroxide In methanol for 2h;	95%
With potassium hydroxide In methanol

: 32328-03-3
diethyl 3-hydroxyglutarate

: 638-18-6
diethyl 3-hydroxypentanedioate

Conditions

Conditions	Yield
With sodium hydroxide In methanol; water for 60h; Ambient temperature;	84%
With potassium hydroxide In ethanol

: 542-05-2
acetonedicarboxylic acid

: 638-18-6
diethyl 3-hydroxypentanedioate

Conditions

Conditions	Yield
With sodium amalgam; water; sodium carbonate Reagens 4: Kohlendioxyd;

: 1724-02-3
glutaconic acid

: 638-18-6
diethyl 3-hydroxypentanedioate

Conditions

Conditions	Yield
With hydrogen sulfide; mercury(II) diacetate

: 127351-38-6
3-ethoxy-pentenedioic acid diethyl ester

: 638-18-6
diethyl 3-hydroxypentanedioate

Conditions

Conditions	Yield
With sodium amalgam; ethanol

: 77-92-9
citric acid

A: 638-18-6
diethyl 3-hydroxypentanedioate

B: 498-24-8
Mesaconic acid

C: 499-12-7
1 propene 1,2,3 tricarboxylic acid

D: 97-65-4
2-methylenesuccinic acid

E: 616-02-4
citraconic acid anhydride

F: 2170-03-8
itaconic acid anhydride

Conditions

Conditions	Yield
With Sn/Pb solder at 150 - 210℃;

...Expand

: 542-05-2
acetonedicarboxylic acid

sodium amalgam: sodium amalgam

: 638-18-6
diethyl 3-hydroxypentanedioate

β-bromo-glutaric acid: β-bromo-glutaric acid

: 638-18-6
diethyl 3-hydroxypentanedioate

Conditions

Conditions	Yield
With sodium carbonate

: 1724-02-3
glutaconic acid

: 1600-27-7
mercury(II) diacetate

: 7732-18-5
water

: 638-18-6
diethyl 3-hydroxypentanedioate

Conditions

Conditions	Yield
Behandlung des Reaktionsproduktes mit H2S in alkoh. Loesung;

...Expand

glutaconacidic barium: glutaconacidic barium

: 638-18-6
diethyl 3-hydroxypentanedioate

Conditions

Conditions	Yield
With barium dihydroxide

potassium salt of/the/ α.β-dibromo-glutaric acid: potassium salt of/the/ α.β-dibromo-glutaric acid

: 638-18-6
diethyl 3-hydroxypentanedioate

Conditions

Conditions	Yield
With potassium hydroxide

: 64-17-5
ethanol

: 127351-38-6
3-ethoxy-pentenedioic acid diethyl ester

sodium amalgam: sodium amalgam

: 638-18-6
diethyl 3-hydroxypentanedioate

...Expand

sodium glutaconate: sodium glutaconate

: 638-18-6
diethyl 3-hydroxypentanedioate

Conditions

Conditions	Yield
bei Einw.von Hundemuskelbrei;

sodium salt of/the/ α.β-dibromo-glutaric acid: sodium salt of/the/ α.β-dibromo-glutaric acid

: 638-18-6
diethyl 3-hydroxypentanedioate

Conditions

Conditions	Yield
With sodium carbonate

: 859306-40-4
3-bromo-glutaric acid

natrium carbonate: natrium carbonate

A: 625-38-7
but-3-enoic acid

B: 638-18-6
diethyl 3-hydroxypentanedioate

...Expand

: 857792-97-3
2,3-dibromo-glutaric acid

natrium carbonate: natrium carbonate

A: 638-18-6
diethyl 3-hydroxypentanedioate

B: 328-50-7
α-ketoglutaric acid

C: 1724-02-3
glutaconic acid

D α.β-dioxy-glutaric acid: α.β-dioxy-glutaric acid

Conditions

Conditions	Yield
Prod. 5:trans-Cyclopropan-dicarbonsaeure-(1.2); Prod. 6: Cyclopropen-(2)-dicarbonsaeure-(1.2); Prod. 7: Pyromellitsaeure;

...Expand

: 49597-05-9
propene-1,1,3,3-tetracarboxylic acid tetraethyl ester

aq. barium hydroxide solution: aq. barium hydroxide solution

A: 64-18-6
formic acid

B: 638-18-6
diethyl 3-hydroxypentanedioate

C: 141-82-2
malonic acid

D: 1724-02-3
glutaconic acid

...Expand

: 49597-05-9
propene-1,1,3,3-tetracarboxylic acid tetraethyl ester

aqueous KOH-solution: aqueous KOH-solution

A: 64-18-6
formic acid

B: 638-18-6
diethyl 3-hydroxypentanedioate

C: 141-82-2
malonic acid

D: 1724-02-3
glutaconic acid

...Expand

: 7647-01-0
hydrogenchloride

: 49597-05-9
propene-1,1,3,3-tetracarboxylic acid tetraethyl ester

A: 638-18-6
diethyl 3-hydroxypentanedioate

B: 2889-31-8
2-hydroxyglutaric acid

C: 1724-02-3
glutaconic acid

D butyrolactonecarboxylic acid: butyrolactonecarboxylic acid

...Expand

: 49597-05-9
propene-1,1,3,3-tetracarboxylic acid tetraethyl ester

A: 638-18-6
diethyl 3-hydroxypentanedioate

B glutaconic acid , malonic acid , formic acid: glutaconic acid , malonic acid , formic acid

Conditions

Conditions	Yield
With barium dihydroxide

: 628-48-8
glutaconic acid

: 1600-27-7
mercury(II) diacetate

: 7732-18-5
water

A: 638-18-6
diethyl 3-hydroxypentanedioate

B: 1724-02-3
glutaconic acid

C mercury sulfide: mercury sulfide

Conditions

Conditions	Yield
das Produkt bei 100-105grad unter Gelbfaerbung und Gewichtsverlust zersetzt und liefert mit Schwefelwasserstoff in alkalischer Loesung;

...Expand

: 67-56-1
methanol

: 542-05-2
acetonedicarboxylic acid

A: 638-18-6
diethyl 3-hydroxypentanedioate

B: 109462-19-3
Monomethyl 3-Hydroxypentanedioic Acid

Conditions

Conditions	Yield
With potassium hydroxide; sodium tetrahydroborate for 0.333333h;

...Expand

: 1830-54-2
3-oxopentanedioic acid dimethyl ester

: 638-18-6
diethyl 3-hydroxypentanedioate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 54 percent / NaBH4 2: 95 percent / KOH / methanol / 2 h View Scheme
Multi-step reaction with 2 steps 1: NaBH4 / methanol 2: KOH / methanol View Scheme

: 7250-55-7
dimethyl 3-hydroxypentanedioate

A: 638-18-6
diethyl 3-hydroxypentanedioate

B: 1724-02-3
glutaconic acid

Conditions

Conditions	Yield
Stage #1: dimethyl 3-hydroxypentanedioate With potassium hydroxide In methanol at 0 - 20℃; Stage #2: With hydrogenchloride In water

: 638-18-6
diethyl 3-hydroxypentanedioate

: 75-36-5
acetyl chloride

: 98546-48-6
3-acetoxypentanedioic anhydride

Conditions

Conditions	Yield
	92%

: 6066-82-6
1-hydroxy-pyrrolidine-2,5-dione

: 638-18-6
diethyl 3-hydroxypentanedioate

: 197906-35-7
3-Hydroxy-pentanedioic acid bis-(2,5-dioxo-pyrrolidin-1-yl) ester

Conditions

Conditions	Yield
With dicyclohexyl-carbodiimide In 1,4-dioxane for 24h; Ambient temperature;	92%

: 638-18-6
diethyl 3-hydroxypentanedioate

: 118511-81-2
1-(4-piperidinyl)-1H-indole

: 1093881-98-1
C31H36N4O3

Conditions

Conditions	Yield
With 4-methyl-morpholine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In ethanol at 25℃; for 3h;	76%

: 638-18-6
diethyl 3-hydroxypentanedioate

: 152294-14-9
dihydro-4-hydroxy-2H-pyran-2,6(3H)-dione

Conditions

Conditions	Yield
With dicyclohexyl-carbodiimide In tetrahydrofuran at 22℃; for 1h;	54%

: 638-18-6
diethyl 3-hydroxypentanedioate

: 64-17-5
ethanol

: 32328-03-3
diethyl 3-hydroxyglutarate

Conditions

Conditions	Yield
With sulfuric acid
With sulfuric acid

: 638-18-6
diethyl 3-hydroxypentanedioate

: furan-2,3,5(4H)-trione pyridine (1:1)

: 1724-02-3
glutaconic acid

: 638-18-6
diethyl 3-hydroxypentanedioate

: 5926-95-4
2H-pyran-2,6(3H)-dione

Conditions

Conditions	Yield
Destillation im Vakuum;

: 638-18-6
diethyl 3-hydroxypentanedioate

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

Conditions

Conditions	Yield
With hydrogen iodide at 180℃; unter Druck;

: 638-18-6
diethyl 3-hydroxypentanedioate

: 625-38-7
but-3-enoic acid

Conditions

Conditions	Yield
Destillation im Vakuum;

: 638-18-6
diethyl 3-hydroxypentanedioate

A: 625-38-7
but-3-enoic acid

B: 1724-02-3
glutaconic acid

Conditions

Conditions	Yield
Destillation im Vakuum;
bei der Destillation im luftverduennten Raum;

: 638-18-6
diethyl 3-hydroxypentanedioate

: 1724-02-3
glutaconic acid

Conditions

Conditions	Yield
Destillation im Vakuum;
With sodium hydroxide
With sulfuric acid
bei der Destillation im luftverduennten Raum;

: 638-18-6
diethyl 3-hydroxypentanedioate

: 859306-40-4
3-bromo-glutaric acid

Conditions

Conditions	Yield
With hydrogen bromide at 100℃;
With hydrogen bromide

: 638-18-6
diethyl 3-hydroxypentanedioate

: 100-63-0
phenylhydrazine

: 3-hydroxy-glutaric acid bis-(N'-phenyl-hydrazide)

Conditions

Conditions	Yield
at 120℃;

: 638-18-6
diethyl 3-hydroxypentanedioate

: 75-36-5
acetyl chloride

β-acetoxy-glutaric acid-anhydride: β-acetoxy-glutaric acid-anhydride

: 638-18-6
diethyl 3-hydroxypentanedioate

: 10034-85-2
hydrogen iodide

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

Conditions

Conditions	Yield
at 180℃;

3-Hydroxypentanedioic acid Specification

The Pentanedioic acid,3-hydroxy-, with the CAS registry number 638-18-6, is also known as 2,4-Dideoxypentaric acid. It belongs to the product category of Aliphatics. This chemical's molecular formula is C₅H₈O₅ and molecular weight is 148.04. What's more, both its IUPAC name and systematic name are the same which is called 3-Hydroxypentanedioic acid.

Physical properties about Pentanedioic acid,3-hydroxy- are: (1)ACD/LogP: -1.422; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.88; (4)ACD/LogD (pH 7.4): -6.15; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 94.83 Å²; (13)Index of Refraction: 1.52; (14)Molar Refractivity: 29.836 cm³; (15)Molar Volume: 98.203 cm³; (16)Polarizability: 11.828×10^-24cm³; (17)Surface Tension: 74.778 dyne/cm; (18)Density: 1.508 g/cm³; (19)Flash Point: 188.705 °C; (20)Enthalpy of Vaporization: 70.737 kJ/mol; (21)Boiling Point: 364.958 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

Preparation of Pentanedioic acid,3-hydroxy-: this chemical can be prepared by 3-hydroxy-glutaric acid dimethyl ester. This reaction needs reagent KOH and solvent methanol. The reaction time is 2 hours. The yield is 95 %.

Pentanedioic acid,3-hydroxy- can be prepared by 3-hydroxy-glutaric acid dimethyl ester.

Uses of Pentanedioic acid,3-hydroxy-: it is used to produce other chemicals. For example, it can react with acetyl chloride to get 3-acetoxy-pentanedioic acid anhydride. The yield is 92 %.

Pentanedioic acid,3-hydroxy- can react with acetyl chloride to get 3-acetoxy-pentanedioic acid anhydride.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CC(O)CC(=O)O
(2) InChI: InChI=1S/C5H8O5/c6-3(1-4(7)8)2-5(9)10/h3,6H,1-2H2,(H,7,8)(H,9,10)
(3) InChIKey: ZQHYXNSQOIDNTL-UHFFFAOYSA-N

Product Name

3-Hydroxyglutaric Acid

Synthetic route

3-Hydroxypentanedioic acid Specification

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