ChemicalBook > CAS DataBase List > Methyl 4-oxotetrahydrothiophene-3-carboxylate

Methyl 4-oxotetrahydrothiophene-3-carboxylate

Product Name
Methyl 4-oxotetrahydrothiophene-3-carboxylate
CAS No.
2689-68-1
Chemical Name
Methyl 4-oxotetrahydrothiophene-3-carboxylate
Synonyms
AKOS 92615;methyl tetrahydro-4-oxo-3-thenoate;4-CARBOMETHOXYTETRAHYDRO-3-THIOPHENE;4-CARBOMETHOXYTETRAHYDRO-3-THIOPHENONE;3-Carbomethoxytetrahydrothiophene-4-one;METHYL 3-OXOTETRAHYDROTHIOPHENE4-CARBOXYLATE;METHYL 4-OXOTETRAHYDROTHIOPHENE-3-CARBOXYLATE;Methyl 4-oxotetrahydrothiophene-3-carboxylate ,97%;Methyl 4-oxotetrahydrothiophene-3-carboxylate, 95+%;tetrahydro-4-oxo-3-thiophenecarboxylicacimethylester
CBNumber
CB3354748
Molecular Formula
C6H8O3S
Formula Weight
160.19
MOL File
2689-68-1.mol
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Methyl 4-oxotetrahydrothiophene-3-carboxylate Property

Melting point:
37-38 °C
Boiling point:
95 °C
Density 
1.309±0.06 g/cm3(Predicted)
storage temp. 
2-8°C(protect from light)
solubility 
Chloroform
form 
Solid
pka
10.52±0.20(Predicted)
color 
Light Yellow
InChI
InChI=1S/C6H8O3S/c1-9-6(8)4-2-10-3-5(4)7/h4H,2-3H2,1H3
InChIKey
LEAKUJFYXNILRB-UHFFFAOYSA-N
SMILES
C1SCC(=O)C1C(OC)=O
EPA Substance Registry System
3-Thiophenecarboxylic acid, tetrahydro-4-oxo-, methyl ester (2689-68-1)
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Safety

Hazard Codes 
Xi
Risk Statements 
36/37/38
Safety Statements 
26-37/39
HazardClass 
IRRITANT
HS Code 
29339900
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P271Use only outdoors or in a well-ventilated area.

P280Wear protective gloves/protective clothing/eye protection/face protection.

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N-Bromosuccinimide Price

TRC
Product number
T294170
Product name
Tetrahydro-4-oxo-3-thiophenecarboxylicAcidMethylEster
Packaging
5G
Price
$440
Updated
2021/12/16
TRC
Product number
T294170
Product name
Tetrahydro-4-oxo-3-thiophenecarboxylicAcidMethylEster
Packaging
25g
Price
$1650
Updated
2021/12/16
American Custom Chemicals Corporation
Product number
CHM0030710
Product name
METHYL 4-OXOTETRAHYDROTHIOPHENE-3-CARBOXYLATE
Purity
95.00%
Packaging
10G
Price
$1320.38
Updated
2021/12/16
American Custom Chemicals Corporation
Product number
CHM0030710
Product name
METHYL 4-OXOTETRAHYDROTHIOPHENE-3-CARBOXYLATE
Purity
95.00%
Packaging
1G
Price
$631.34
Updated
2021/12/16
Medical Isotopes, Inc.
Product number
67223
Product name
Tetrahydro-4-oxo-3-thiophenecarboxylicAcidMethylEster
Packaging
500mg
Price
$650
Updated
2021/12/16
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Methyl 4-oxotetrahydrothiophene-3-carboxylate Chemical Properties,Usage,Production

Chemical Properties

White solid

Uses

Methyl 4-oxotetrahydrothiophene-3-carboxylate is used in the preparation of a new class of neuroleptic agents.

Synthesis

2,3,4,5-Tetrahydro-4-oxo-3-thiophene carboxylic acid, methyl ester (L75a): 25.3 g (1.1 mol) of sodium were implemented in 190 mL abs. methanol to methylate. To methylate solution 70 g (0.360 mol) (L74) was added dropwise at the boiling point and the reaction mixture was heated for 45 min under reflux. The cooling mixture was poured onto a mixture of 500 mL ice and 300 mL water, acidified with 100 mL conc. HCl and the oily precipitating product was brought to crystallize under cooling with ice/sodium chloride bath. The crystals were sucked off, resumed in 100 mL methylene chloride and dried over sodium sulfate and evaporated. There were obtained 16.7 g of pale beige crystals. The aqueous phase was extracted three times with 100 mL of methylene chloride, the organic phase dried over sodium sulfate and evaporated. 30 g of crystalline product Methyl 4-oxotetrahydrothiophene-3-carboxylate was obtained. Yield: 46.7 g of light beige crystals (81 % of theory). mp 29-31 degC. TLC: Bz:MeOH:AcOH = 45:8:4, Rf = 0.75.

Methyl 4-oxotetrahydrothiophene-3-carboxylate Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from Methyl 4-oxotetrahydrothiophene-3-carboxylate manufacturers

Henan Aochuang Chemical Co.,Ltd.
Product
Methyl 4-oxotetrahydrothiophene-3-carboxylate 2689-68-1
Price
US $0.00-0.00/kg
Min. Order
1kg
Purity
98%
Supply Ability
1Ton
Release date
2022-09-22
Career Henan Chemical Co
Product
METHYL 4-OXOTETRAHYDROTHIOPHENE-3-CARBOXYLATE 2689-68-1
Price
US $1.00/KG
Min. Order
1KG
Purity
85.0-99.8%
Supply Ability
20ton
Release date
2019-12-20

2689-68-1, Methyl 4-oxotetrahydrothiophene-3-carboxylate Related Search:


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  • AKOS 92615
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