(4-oxo-3-sulfanylpentyl) acetate supplier

Name
2-Pentanone, 5-(acetyloxy)-3-mercapto-
EINECS
CAS No. 55289-66-2
Article Data5
CAS DataBase
Density 1.107±0.06 g/cm3 (20 oC 760 Torr), Calc.*
Solubility Slightly soluble (7.6 g/L) (25 oC), Calc.*
Melting Point 176.23300
Formula C7H12O3S
Boiling Point
Molecular Weight 176.236
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-acetoxy-3-mercapto-pentan-2-one;3-Mercapto-4-oxopentyl Acetate;5-Acetoxy-3-mercapto-pentan-2-on;3-Acetyl-3-mercapto-propylacetat;2-Pentanone,5-(acetyloxy)-3-mercapto;
PSA 82.17000
LogP 0.82700

Synthetic route

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

: 55289-66-2
3-Mercapto-4-oxopentyl Acetate

Conditions

Conditions	Yield
With potassium hydrosulfide In methanol for 1h; Ambient temperature;	73.5%
With sodium hydrogen sulfide In methanol at 0 - 20℃; for 2h; Inert atmosphere;	64%
With sodium hydrogensulfide In toluene at 10 - 20℃; for 1h;

: 106590-76-5
bis-(3-acetoxy-1-acetyl-propyl)-disulfide

: 55289-66-2
3-Mercapto-4-oxopentyl Acetate

Conditions

Conditions	Yield
With acetic acid; zinc

3-chloro-5-acetoxy-pentanone-(2): 3-chloro-5-acetoxy-pentanone-(2)

: 55289-66-2
3-Mercapto-4-oxopentyl Acetate

Conditions

Conditions	Yield
With sodium hydrogensulfide

: 55289-66-2
3-Mercapto-4-oxopentyl Acetate

: [C2,C5-13C2]-7-methyl-3,4-dihydropyrimido[4,5-d]pyrimidine

: 1262424-81-6
[C2-13C]-3-(([C6-13C]-4-amino-2-methylpyrimidin-5-yl)methyl)-5-(2-hydroxyethyl)-4-methyl-3-thiazolium hydrochloride

Conditions

Conditions	Yield
Stage #1: 3-Mercapto-4-oxopentyl Acetate; [C2,C5-13C2]-7-methyl-3,4-dihydropyrimido[4,5-d]pyrimidine With formic acid at 20 - 30℃; for 0.75h; Inert atmosphere; Stage #2: With hydrogenchloride In ethanol at 20℃; for 0.75h; Kinetics; Inert atmosphere;	91.3%

: 31375-19-6
3,4-Dihydro-7-methylpyrimido<4,5-d>pyrimidine

: 55289-66-2
3-Mercapto-4-oxopentyl Acetate

: 130967-53-2
Thiamine formate

Conditions

Conditions	Yield
With formic acid for 0.5h; Ambient temperature;	89.3%

: 1886-36-8
5-aminomethyl-2-ethyl-pyrimidin-4-ylamine

: 55289-66-2
3-Mercapto-4-oxopentyl Acetate

: 4102-72-1
3-(2-ethyl-4-amino-pyrimidin-5-ylmethyl)-5-(2-hydroxy-ethyl)-4-methyl-thiazolium; chloride-hydrochloride

: 1886-36-8
5-aminomethyl-2-ethyl-pyrimidin-4-ylamine

: 55289-66-2
3-Mercapto-4-oxopentyl Acetate

: 6309-04-2
3-(2-ethyl-4-amino-pyrimidin-5-ylmethyl)-5-(2-hydroxy-ethyl)-4-methyl-thiazolium; bromide hydrobromide

: 1886-36-8
5-aminomethyl-2-ethyl-pyrimidin-4-ylamine

: 55289-66-2
3-Mercapto-4-oxopentyl Acetate

: 3-(2-ethyl-4-amino-pyrimidin-5-ylmethyl)-5-(2-hydroxy-ethyl)-4-methyl-thiazolium; picrate

: 55289-66-2
3-Mercapto-4-oxopentyl Acetate

: 106590-76-5
bis-(3-acetoxy-1-acetyl-propyl)-disulfide

Conditions

Conditions	Yield
With iodine

: 55289-66-2
3-Mercapto-4-oxopentyl Acetate

: 855395-82-3
(4-amino-2-methyl-pyrimidin-5-ylmethyl)-oxalamic acid

: 70-16-6
Aneurin

: 55289-66-2
3-Mercapto-4-oxopentyl Acetate

: 75-05-8
acetonitrile

: 2258-19-7
2-(2,4-dimethylthiazol-5-yl)ethanol

Conditions

Conditions	Yield
With hydrogenchloride ueber 3-Acetimidoylmercapto-5-acetoxy-pentan-2-on-hydrochlorid;

: 55289-66-2
3-Mercapto-4-oxopentyl Acetate

: 855395-83-4
(2-ethyl-4-amino-pyrimidin-5-ylmethyl)-oxalamic acid

: 4102-72-1
3-(2-ethyl-4-amino-pyrimidin-5-ylmethyl)-5-(2-hydroxy-ethyl)-4-methyl-thiazolium; chloride-hydrochloride

: 55289-66-2
3-Mercapto-4-oxopentyl Acetate

: 855395-83-4
(2-ethyl-4-amino-pyrimidin-5-ylmethyl)-oxalamic acid

: 6309-04-2
3-(2-ethyl-4-amino-pyrimidin-5-ylmethyl)-5-(2-hydroxy-ethyl)-4-methyl-thiazolium; bromide hydrobromide

: 55289-66-2
3-Mercapto-4-oxopentyl Acetate

: 855395-83-4
(2-ethyl-4-amino-pyrimidin-5-ylmethyl)-oxalamic acid

: 3-(2-ethyl-4-amino-pyrimidin-5-ylmethyl)-5-(2-hydroxy-ethyl)-4-methyl-thiazolium; picrate

: 55289-66-2
3-Mercapto-4-oxopentyl Acetate

: 1886-34-6
2-methyl-4-amino-5-formylaminomethylpyrimidine

: 70-16-6
Aneurin

: 31375-19-6
3,4-Dihydro-7-methylpyrimido<4,5-d>pyrimidine

: 55289-66-2
3-Mercapto-4-oxopentyl Acetate

: 67-03-8
Thiamine hydrochloride

Conditions

Conditions	Yield
With hydrogenchloride; formic acid 1.) 30 min, RT, 2.) EtOH, 30 min, RT; Yield given. Multistep reaction;

: 55289-66-2
3-Mercapto-4-oxopentyl Acetate

: 177411-69-7
3,4-dihydro-5-deuterio-7-methylpyrimido[4,5-d]pyrimidine

: 177411-70-0
C14H18(2)HN4O2S(1+)

Conditions

Conditions	Yield
With hydrogenchloride; ethanol 1.) formic acid, room temperature, 30 min, 2.) room temperature, 30 min; Multistep reaction;

: 55289-66-2
3-Mercapto-4-oxopentyl Acetate

: C7H7(2)HN4

: C14H18(2)HN4O2S(1+)

Conditions

Conditions	Yield
With hydrogenchloride; ethanol 1.) formic acid, room temperature, 30 min, 2.) room temperature, 30 min; Multistep reaction;

: 7647-01-0
hydrogenchloride

: 74-90-8
hydrogen cyanide

: 55289-66-2
3-Mercapto-4-oxopentyl Acetate

: 71-43-2
benzene

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

Conditions

Conditions	Yield
at 130℃;

...Expand

: 7647-01-0
hydrogenchloride

: 55289-66-2
3-Mercapto-4-oxopentyl Acetate

: 75-05-8
acetonitrile

: 2258-19-7
2-(2,4-dimethylthiazol-5-yl)ethanol

...Expand

: 55289-66-2
3-Mercapto-4-oxopentyl Acetate

N-<2-ethyl-4-amino-pyrimidin-5-yl>-formamide: N-<2-ethyl-4-amino-pyrimidin-5-yl>-formamide

: 4102-72-1
3-(2-ethyl-4-amino-pyrimidin-5-ylmethyl)-5-(2-hydroxy-ethyl)-4-methyl-thiazolium; chloride-hydrochloride

: 55289-66-2
3-Mercapto-4-oxopentyl Acetate

N-<2-ethyl-4-amino-pyrimidin-5-yl>-formamide: N-<2-ethyl-4-amino-pyrimidin-5-yl>-formamide

: 6309-04-2
3-(2-ethyl-4-amino-pyrimidin-5-ylmethyl)-5-(2-hydroxy-ethyl)-4-methyl-thiazolium; bromide hydrobromide

: 55289-66-2
3-Mercapto-4-oxopentyl Acetate

N-<2-ethyl-4-amino-pyrimidin-5-yl>-formamide: N-<2-ethyl-4-amino-pyrimidin-5-yl>-formamide

: 3-(2-ethyl-4-amino-pyrimidin-5-ylmethyl)-5-(2-hydroxy-ethyl)-4-methyl-thiazolium; picrate

: 55289-66-2
3-Mercapto-4-oxopentyl Acetate

: (R)-monodeuteriothiamin chloride hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 2.) HCl/EtOH / 1.) formic acid, room temperature, 30 min, 2.) room temperature, 30 min 2: aq. HCl / ethanol / 1.) 90 deg C, 2.) 4 deg C, overnight View Scheme

: 55289-66-2
3-Mercapto-4-oxopentyl Acetate

: (S)-monodeuteriothiamin

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 2.) HCl/EtOH / 1.) formic acid, room temperature, 30 min, 2.) room temperature, 30 min 2: aq. HCl / ethanol / 1.) 90 deg C, 2.) 4 deg C, overnight View Scheme

: 5941-55-9
ethyl 3-ethoxyacrylate

: 55289-66-2
3-Mercapto-4-oxopentyl Acetate

: 1012795-36-6
C14H24O6S

Conditions

Conditions	Yield
With lithium hexamethyldisilazane In toluene at 20℃; for 18h;

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

: 55289-66-2
3-Mercapto-4-oxopentyl Acetate

A: 1569026-98-7
C13H17N4O2S(1+)

B: 70-16-6
Aneurin

C: 130967-52-1
O-acetylthiamine

Conditions

Conditions	Yield
Stage #1: 5-(aminomethyl)-2-methylpyrimidin-4-amine With formic acid Reflux; Inert atmosphere; Stage #2: 3-Mercapto-4-oxopentyl Acetate Reflux; Overall yield = 78.0 %Chromat.;	A 60.3 %Chromat. B 8.0 %Chromat. C 9.7 %Chromat.

...Expand

: 627-45-2
N-formylethylamine

: 55289-66-2
3-Mercapto-4-oxopentyl Acetate

A: 1569027-13-9
C10H16NO2S(1+)

B: 1569027-16-2
C9H14NO2S(1+)

Conditions

Conditions	Yield
Stage #1: N-formylethylamine With formic acid Reflux; Inert atmosphere; Stage #2: 3-Mercapto-4-oxopentyl Acetate Reflux; Overall yield = 29.6 %Chromat.;	A 20.5 %Chromat. B 9.1 %Chromat.

...Expand

: 55289-66-2
3-Mercapto-4-oxopentyl Acetate

: 3218-02-8
cyclohexylmethylamine

A: 1569027-20-8
C15H24NO2S(1+)

B: 1569027-23-1
C14H22NO2S(1+)

Conditions

Conditions	Yield
Stage #1: cyclohexylmethylamine With formic acid Reflux; Inert atmosphere; Stage #2: 3-Mercapto-4-oxopentyl Acetate Reflux; Overall yield = 43.8 %Chromat.;	A 30.5 %Chromat. B 12.3 %Chromat.

...Expand

: 3731-51-9
(2-aminomethylpyridine)

: 55289-66-2
3-Mercapto-4-oxopentyl Acetate

A: C12H15N2OS(1+)

B: 1569027-29-7
C14H17N2O2S(1+)

Conditions

Conditions	Yield
Stage #1: 2-(Aminomethyl)pyridine With formic acid Reflux; Inert atmosphere; Stage #2: 3-Mercapto-4-oxopentyl Acetate Reflux; Overall yield = 28.9 %Chromat.;	A 11.2 %Chromat. B 14.3 %Chromat.

...Expand

Product Name

2-Pentanone, 5-(acetyloxy)-3-mercapto-

Synthetic route

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