3-Chloro-4-oxo-1-pentanol supplier

Name
3-Chloro-5-hydroxy-2-pentanone
EINECS
CAS No. 13045-13-1
Article Data20
CAS DataBase
Density 1.162g/cm³
Solubility
Melting Point
Formula C₅H₉ClO₂
Boiling Point 263.5 °C at 760 mmHg
Molecular Weight 136.578
Flash Point 113.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Chloro-5-hydroxy-2-pentanone;3-Chloro-4-oxo-1-pentanol
PSA 37.30000
LogP 0.56520

Synthetic route

: 2986-00-7
3-acetyl-3-chlorodihydrofuran-2(3H)-one

: 13045-13-1
3-chloro-3-acetylpropanol

Conditions

Conditions	Yield
With acidic ion exchanger; water
With hydrogenchloride In acetic acid Heating;
With hydrogenchloride; water; acetic acid for 18h; Reflux;

: 13045-14-2
3-chloro-5-(3-chloro-2-methyl-tetrahydro-furan-2-yloxy)-pentan-2-one

: 13045-13-1
3-chloro-3-acetylpropanol

Conditions

Conditions	Yield
With water at 60℃;
With water at 60℃;

: 2-chloro-2-(2-hydroxy-ethyl)-acetoacetic acid ethyl ester

: 13045-13-1
3-chloro-3-acetylpropanol

Conditions

Conditions	Yield
With sulfuric acid; acetic acid

: 857619-39-7
2-(2-acetoxy-ethyl)-2-chloro-acetoacetic acid ethyl ester

: 13045-13-1
3-chloro-3-acetylpropanol

Conditions

Conditions	Yield
With ethanol; sulfuric acid

: 5185-97-7
4-oxopentyl acetate

: 13045-13-1
3-chloro-3-acetylpropanol

Conditions

Conditions	Yield
With chlorine

: 4-acetoxy-4-chloro-dihydro-furan-2-one

: 13045-13-1
3-chloro-3-acetylpropanol

Conditions

Conditions	Yield
With hydrogenchloride

: 13045-15-3
2,3-dichloro-2-methyl-tetrahydro-furan

: 7732-18-5
water

: 13045-13-1
3-chloro-3-acetylpropanol

: 7647-01-0
hydrogenchloride

: 2986-00-7
3-acetyl-3-chlorodihydrofuran-2(3H)-one

A: 13045-14-2
3-chloro-5-(3-chloro-2-methyl-tetrahydro-furan-2-yloxy)-pentan-2-one

B: 13045-13-1
3-chloro-3-acetylpropanol

...Expand

2-chloro-2-<2-bromo-ethyl>-acetoacetic acid ethyl ester: 2-chloro-2-<2-bromo-ethyl>-acetoacetic acid ethyl ester

: 13045-13-1
3-chloro-3-acetylpropanol

Conditions

Conditions	Yield
With sulfuric acid; acetic acid

: 64-17-5
ethanol

: 857619-39-7
2-(2-acetoxy-ethyl)-2-chloro-acetoacetic acid ethyl ester

35 percent H2SO4: 35 percent H2SO4

: 13045-13-1
3-chloro-3-acetylpropanol

...Expand

α-chloro-α-acetyl-butyrolactone: α-chloro-α-acetyl-butyrolactone

A: 13045-14-2
3-chloro-5-(3-chloro-2-methyl-tetrahydro-furan-2-yloxy)-pentan-2-one

B: 13045-13-1
3-chloro-3-acetylpropanol

Conditions

Conditions	Yield
With hydrogenchloride
With hydrogenchloride

: 7791-25-5
sulfuryl dichloride

: 1071-73-4
5-Hydroxy-2-pentanone

A: 13045-14-2
3-chloro-5-(3-chloro-2-methyl-tetrahydro-furan-2-yloxy)-pentan-2-one

B: 13045-13-1
3-chloro-3-acetylpropanol

Conditions

Conditions	Yield
at 0℃;
at 0℃;

...Expand

: 1071-73-4
5-Hydroxy-2-pentanone

: 7732-18-5
water

: 7782-50-5
chlorine

A: 13045-14-2
3-chloro-5-(3-chloro-2-methyl-tetrahydro-furan-2-yloxy)-pentan-2-one

B: 13045-13-1
3-chloro-3-acetylpropanol

Conditions

Conditions	Yield
at 20 - 40℃;
at 20 - 40℃;

...Expand

pentanol-(5)-one-(2): pentanol-(5)-one-(2)

A: 13045-14-2
3-chloro-5-(3-chloro-2-methyl-tetrahydro-furan-2-yloxy)-pentan-2-one

B: 13045-13-1
3-chloro-3-acetylpropanol

Conditions

Conditions	Yield
With sulfuryl dichloride at 0℃;

: 517-23-7
3-acetyl-2-oxo-4,5-dihydrofuran

: 13045-13-1
3-chloro-3-acetylpropanol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 89 percent / SO2Cl2 2: HCl / acetic acid / Heating View Scheme
Multi-step reaction with 2 steps 1: sulfuryl dichloride / 25 h / -10 - 20 °C / Inert atmosphere 2: hydrogenchloride; water; acetic acid / 18 h / Reflux View Scheme

: 86351-01-1
2-(2-hydroxy-ethyl)-acetoacetic acid ethyl ester

: 13045-13-1
3-chloro-3-acetylpropanol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: SO2Cl2 / 0 - 25 °C 2: glacial acetic acid; H2SO4 View Scheme

: 75-15-0
carbon disulfide

: 13045-13-1
3-chloro-3-acetylpropanol

: 6310-21-0
2-(1,1-dimethylethyl)-benzenamine

: 3-(2-tert-butylphenyl)-1,3-dihydro-5-(2-hydroxyethyl)-4-methyl-2H-thiazole-2-thione

Conditions

Conditions	Yield
Stage #1: carbon disulfide; 2-(1,1-dimethylethyl)-benzenamine With sodium hydroxide In dimethyl sulfoxide at 20℃; for 1h; Stage #2: 3-chloro-3-acetylpropanol In 1,4-dioxane; dimethyl sulfoxide at 20℃; for 1h; Stage #3: With hydrogenchloride In ethanol at 20℃; for 2.5h; Further stages.;	49%

...Expand

: 2302-88-7
1-acetylthiosemicarbazide

: 13045-13-1
3-chloro-3-acetylpropanol

: acetic acid-{N'-[5-(2-hydroxy-ethyl)-4-methyl-thiazol-2-yl]-hydrazide}

Conditions

Conditions	Yield
With ethanol

: 95-02-3
5-(aminomethyl)-2-methylpyrimidin-4-amine

: 463-58-1
carbon oxide sulfide

: 13045-13-1
3-chloro-3-acetylpropanol

: 3-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-4-hydroxy-5-(2-hydroxy-ethyl)-4-methyl-thiazolidin-2-one

Conditions

Conditions	Yield
With potassium hydroxide; ammonium hydroxide

...Expand

: 31375-20-9
4-Amino-2-methyl-5-thioformamidomethylpyrimidin

: 13045-13-1
3-chloro-3-acetylpropanol

: 70-16-6
Aneurin

Conditions

Conditions	Yield
With pyridine hydrochloride

: 60-29-7
diethyl ether

: 13045-13-1
3-chloro-3-acetylpropanol

: 115-08-2
thiocarboxamide

: 137-00-8
5-hydroxyethyl-4-methylthiazole

...Expand

: 13045-13-1
3-chloro-3-acetylpropanol

: 64-17-5
ethanol

: 115-08-2
thiocarboxamide

: 137-00-8
5-hydroxyethyl-4-methylthiazole

...Expand

: 13045-13-1
3-chloro-3-acetylpropanol

: 115-08-2
thiocarboxamide

: 137-00-8
5-hydroxyethyl-4-methylthiazole

Conditions

Conditions	Yield
With α-picoline; ethyl acetate
With diethyl ether
With pyridine; ethyl acetate
With ethanol

: 13045-13-1
3-chloro-3-acetylpropanol

: 4917-74-2
O-benzoylthiolactamide

: 100956-45-4
2-[2-(1-benzoyloxy-ethyl)-4-methyl-thiazol-5-yl]-ethanol

: 13045-13-1
3-chloro-3-acetylpropanol

: 141-52-6
sodium ethanolate

A: 105583-24-2
5-(3-chloro-2-methyl-tetrahydro-[2]furyloxy)-3-methylsulfanyl-pentan-2-one

B: 99115-98-7
5-hydroxy-3-methylsulfanyl-pentan-2-one

Conditions

Conditions	Yield
With ethanol; hydrogen sulfide Behandeln des Reaktionsgemisches mit Diazomethan in Aether;

...Expand

: 13045-13-1
3-chloro-3-acetylpropanol

: 513-74-6
ammonium dithiocarbamate

: 1124-01-2
5-(2-hydroxy-ethyl)-4-methyl-3H-thiazole-2-thione

Conditions

Conditions	Yield
With water

: 13045-13-1
3-chloro-3-acetylpropanol

: 513-74-6
ammonium dithiocarbamate

: 408340-34-1
4-hydroxy-5-(2-hydroxy-ethyl)-4-methyl-thiazolidine-2-thione

Conditions

Conditions	Yield
With water

: 13045-13-1
3-chloro-3-acetylpropanol

: 13045-15-3
2,3-dichloro-2-methyl-tetrahydro-furan

Conditions

Conditions	Yield
With hydrogenchloride

: 13045-13-1
3-chloro-3-acetylpropanol

: 13045-14-2
3-chloro-5-(3-chloro-2-methyl-tetrahydro-furan-2-yloxy)-pentan-2-one

Conditions

Conditions	Yield
under 1 Torr; Destillation;
under 1 Torr; Destillation;

: 13045-13-1
3-chloro-3-acetylpropanol

A: 58371-98-5
3, 5-dichloro-2-pentanone

B: 3-chloro-3-(2-hydroxy-ethyl)-pentane-2,4-dione

Conditions

Conditions	Yield
With acetyl chloride zuletzt bei 100grad;

: 13045-13-1
3-chloro-3-acetylpropanol

: 108-24-7
acetic anhydride

: 3-chloro-3-(2-hydroxy-ethyl)-pentane-2,4-dione

: 13045-13-1
3-chloro-3-acetylpropanol

: 108-24-7
acetic anhydride

: 13051-49-5
5-Acetoxy-3-chloropentan-2-one

: 13045-13-1
3-chloro-3-acetylpropanol

: 77287-34-4, 77287-35-5, 60100-09-6
formamide

: 137-00-8
5-hydroxyethyl-4-methylthiazole

Conditions

Conditions	Yield
With tetraphosphorus decasulfide; toluene
With tetraphosphorus decasulfide; toluene

: 13045-13-1
3-chloro-3-acetylpropanol

: 75-36-5
acetyl chloride

A: 58371-98-5
3, 5-dichloro-2-pentanone

B: 3-chloro-3-(2-hydroxy-ethyl)-pentane-2,4-dione

...Expand

: 13045-13-1
3-chloro-3-acetylpropanol

: 75-36-5
acetyl chloride

: 3-chloro-3-(2-hydroxy-ethyl)-pentane-2,4-dione

: 13045-13-1
3-chloro-3-acetylpropanol

: 75-36-5
acetyl chloride

: 13051-49-5
5-Acetoxy-3-chloropentan-2-one

Conditions

Conditions	Yield
With pyridine at 0℃;

: 13045-13-1
3-chloro-3-acetylpropanol

: 17356-08-0
thiourea

: 1820-94-6
2-amino-5-(2-hydroxyethyl)-4-methylthiazole

: 13045-13-1
3-chloro-3-acetylpropanol

: 79-40-3
dithiooxamide

: 553-22-0
2,2'-(4,4'-dimethyl-[2,2']bithiazolyl-5,5'-diyl)-bis-ethanol

: 1075-47-4
4-methylphenylglyoxal

: 95-02-3
5-(aminomethyl)-2-methylpyrimidin-4-amine

: 13045-13-1
3-chloro-3-acetylpropanol

: 16019-01-5
[3-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-3a-methyl-hexahydro-furo[2,3-d]thiazol-2-yl]-p-tolyl-methanone

Conditions

Conditions	Yield
(i) aq. NaOH, H2S, (ii) /BRN= 126861/, (iii) /BRN= 1099518/, EtOH; Multistep reaction;

...Expand

: 1075-47-4
4-methylphenylglyoxal

: 95-02-3
5-(aminomethyl)-2-methylpyrimidin-4-amine

: 13045-13-1
3-chloro-3-acetylpropanol

A: 16019-02-6
[9-(2-hydroxy-ethyl)-2,9a-dimethyl-5,9,9a,10-tetrahydro-pyrimido[4,5-d]thiazolo[3,4-a]pyrimidin-7-yl]-p-tolyl-methanone

B: 16019-01-5
[3-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-3a-methyl-hexahydro-furo[2,3-d]thiazol-2-yl]-p-tolyl-methanone

Conditions

Conditions	Yield
(i) aq. NaOH, H2S, (ii) /BRN= 126861/, (iii) /BRN= 1099518/, EtOH; Multistep reaction;

...Expand

: 5195-29-9
4-bromophenylglyoxal

: 95-02-3
5-(aminomethyl)-2-methylpyrimidin-4-amine

: 13045-13-1
3-chloro-3-acetylpropanol

A: 16019-00-4
(4-bromo-phenyl)-[9-(2-hydroxy-ethyl)-2,9a-dimethyl-5,9,9a,10-tetrahydro-pyrimido[4,5-d]thiazolo[3,4-a]pyrimidin-7-yl]-methanone

B: 16018-99-8
[3-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-3a-methyl-hexahydro-furo[2,3-d]thiazol-2-yl]-(4-bromo-phenyl)-methanone

Conditions

Conditions	Yield
(i) aq. NaOH, EtOH, (ii) /BRN= 126861/, (iii) /BRN= 1100018/, EtOH; Multistep reaction;
(i) aq. NaOH, H2S, (ii) /BRN= 126861/, (iii) /BRN= 1100018/, EtOH; Multistep reaction;

...Expand

: 95-02-3
5-(aminomethyl)-2-methylpyrimidin-4-amine

: 13045-13-1
3-chloro-3-acetylpropanol

: 1074-12-0
phenylglyoxal hydrate

A: 16018-98-7
[9-(2-hydroxy-ethyl)-2,9a-dimethyl-5,9,9a,10-tetrahydro-pyrimido[4,5-d]thiazolo[3,4-a]pyrimidin-7-yl]-phenyl-methanone

B: 24912-08-1
[3-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-3a-methyl-hexahydro-furo[2,3-d]thiazol-2-yl]-phenyl-methanone

Conditions

Conditions	Yield
(i) aq. NaOH, H2S, EtOH, (ii) /BRN= 126861/, (iii) /BRN= 1854721/; Multistep reaction;

...Expand

3-Chloro-4-oxo-1-pentanol Specification

The 3-Chloro-5-hydroxy-2-pentanone, with CAS registry number 13045-13-1, has the systematic name of 3-chloro-5-hydroxypentan-2-one. Besides this, it is also called 3-Chloro-5-hydroxy-2-pentanone. And the chemical formula of this chemical is C₅H₉ClO₂.

Physical properties of 3-Chloro-5-hydroxy-2-pentanone: (1)ACD/LogP: 0.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.3; (4)ACD/LogD (pH 7.4): 0.3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 34.89; (8)ACD/KOC (pH 7.4): 34.89; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.45; (14)Molar Refractivity: 31.58 cm³; (15)Molar Volume: 117.4 cm³; (16)Polarizability: 12.52×10^-24cm³; (17)Surface Tension: 36.4 dyne/cm; (18)Density: 1.162 g/cm³; (19)Flash Point: 113.2 °C; (20)Enthalpy of Vaporization: 58.22 kJ/mol; (21)Boiling Point: 263.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00144 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C)C(Cl)CCO
(2)InChI: InChI=1/C5H9ClO2/c1-4(8)5(6)2-3-7/h5,7H,2-3H2,1H3
(3)InChIKey: FYWDUQCSMYWUHV-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C5H9ClO2/c1-4(8)5(6)2-3-7/h5,7H,2-3H2,1H3
(5)Std. InChIKey: FYWDUQCSMYWUHV-UHFFFAOYSA-N

Product Name

3-Chloro-5-hydroxy-2-pentanone

Synthetic route

3-Chloro-4-oxo-1-pentanol Specification

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