- Methyl 1-Benzyl-5-oxopyrrolidine-3-carboxylate
- Methyl (((methoxymethylphosphinothioyl)thio)acetyl)methylcarbamate
- Methyl (+)-(3R)-7-[4-(4-fluorophenyl)-6-isopropyl-2-(N-methyl-N-methanesulfonylamino)pyrimidin-5-yl]-3-hydroxy-5-oxo-(6E)-heptenoate
- Methyl (2-amino-5-methyl-1,3-thiazol-4-yl)acetate
- Methyl (2-chloromethyl)oxazole-4-carboxylate
- Methyl (2E)-3-(4-methylphenyl)propenoate
- Methyl (2E)-3-cyclohexylprop-2-enoate
- Methyl (2R)-2-[(tert-butoxycarbonyl)amino]-3-iodopropanoate
- Methyl (2R)-2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate
- Methyl (2R)-2-amino-2-cyclohexylethanoate hydrochloride
- 2689-69-22-Thiophenecarboxylicacid, tetrahydro-3-oxo-, methyl ester
- 2689-70-52-Thiophenecarboxylicacid, tetrahydro-4-methyl-3-oxo-, methyl ester
- 2690-08-6Octane, 1,1'-thiobis-
- 26904-64-31H,5H,10H-Dipyrido[2,1-f:3',2',1'-ij][1,6]naphthyridin-10-one,2,3,6,7,7a,8,13,13a,13b,13c-decahydro-, 4-oxide, (4R,7aS,13aR,13bR,13cS)-
- 26905-02-2Piperidine,4-(4-chlorophenyl)-
- 26905-40-8Magnesium,chloro[(3-methoxyphenyl)methyl]-
- 269055-05-2Benzonitrile,4-[[5-chloro-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-dimethyl-
- 269055-15-4Etravirine
- 269055-75-6Benzonitrile,4-[(5-bromo-4,6-dichloro-2-pyrimidinyl)amino]-
- 269055-76-76-Desamino 6-Chloro Etravirine
Hot Products
- 104987-11-3Tacrolimus
- 141-53-7Sodium formate
- 8001-54-5Quaternary ammonium compounds, alkylbenzyldimethyl, chlorides
- 9003-39-8Povidone
- 10161-34-9Trenbolone acetate
- 402957-28-2Telaprevir
- 68-19-9Cyanocobalamin
- 7631-86-9Silicon dioxide
- 302-79-4Tretinoin
- 77-92-9Citric acid
|
Basic Information |
|
Post buying leads |
|
Suppliers |
|
Cas Database |
| Name |
Methyl 4-oxotetrahydrothiophene-3-carboxylate |
EINECS | 220-256-9 |
| CAS No. | 2689-68-1 | Density | 1.31 g/cm3 |
| PSA | 68.67000 | LogP | 0.09150 |
| Solubility | N/A | Melting Point |
37-38 °C |
| Formula | C6H8O3S | Boiling Point | 248.4 °C at 760 mmHg |
| Molecular Weight | 160.194 | Flash Point | 116.7 °C |
| Transport Information | N/A | Appearance | Slight yellow to yellow crystalline powder |
| Safety | 26-37/39 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
4-Carbomethoxy-2,3,4,5-tetrahydro-3-thiophenone;4-Carbomethoxy-3-thiophanone;4-Oxotetrahydrothiophene-3-carboxylic acid methylester;Methyl 4-oxo-2,3,4,5-tetrahydrothiophene-3-carboxylate;Methyl4-oxotetrahydrothienyl-3-carboxylate;Methyltetrahydro-4-oxo-3-thiophenecarboxylate;NSC 127560;Tetrahydro-4-oxo-3-thiophenecarboxylicacid methyl ester;Methyl 4-oxotetrahydrothiophene-3-carboxylate; |
Article Data | 22 |
Methyl 4-oxotetrahydrothiophene-3-carboxylate Synthetic route
- 2689-68-1
methyl 4-oxotetrahydrothiophene-3-carboxylate
| Conditions | Yield |
|---|---|
| With hydrogenchloride In water pH=Ca. 5; | 82% |
- 2689-68-1
methyl 4-oxotetrahydrothiophene-3-carboxylate
| Conditions | Yield |
|---|---|
| With lithium methanolate; acetic acid In methanol; hexane; water | 81% |
| Conditions | Yield |
|---|---|
| With pyridine In toluene at 80℃; for 2.5h; | 80% |
| With lithium methanolate In methanol; toluene at 70 - 110℃; | 53.7% |
| Stage #1: dimethyl-3-thiaadipate With sodium methylate In tetrahydrofuran at 20℃; for 2.08333h; Reflux; Stage #2: With hydrogenchloride In tetrahydrofuran; water | 39% |
- 2365-48-2
Methyl thioglycolate
- 292638-85-8
acrylic acid methyl ester
A
- 2689-69-2
methyl tetrahydrothiophen-3-one-2-carboxylate
B
- 2689-68-1
methyl 4-oxotetrahydrothiophene-3-carboxylate
| Conditions | Yield |
|---|---|
| With sodium hydride at -40℃; for 5h; | A 57% B 42% |
| With sodium hydride at -40℃; for 5h; Product distribution; var.: temp.: 0 degC; | A 57% B 42% |
- 7400-45-5
dimethyl-3-thiaadipate
A
- 2689-69-2
methyl tetrahydrothiophen-3-one-2-carboxylate
B
- 2689-68-1
methyl 4-oxotetrahydrothiophene-3-carboxylate
| Conditions | Yield |
|---|---|
| With sodium methylate In methanol for 0.666667h; Heating / reflux; | A n/a B 54% |
| With methanol; sodium for 0.666667h; Heating / reflux; | A n/a B 54% |
| With sodium methylate In diethyl ether for 3h; Heating; | A 44% B 18% |
| With lithium methanolate In toluene at 70 - 110℃; for 18.5h; | A n/a B 33% |
| With sodium hydride In 1,2-dimethoxyethane at -40℃; Inert atmosphere; |
- 292638-85-8
acrylic acid methyl ester
- 2689-68-1
methyl 4-oxotetrahydrothiophene-3-carboxylate
| Conditions | Yield |
|---|---|
| Stage #1: Methyl thioglycolate With sodium methylate In methanol at 20℃; for 3h; Stage #2: acrylic acid methyl ester In dimethyl sulfoxide at 0 - 20℃; for 18h; Michael addition; Dieckmann cyclization; Stage #3: With hydrogenchloride In water; dimethyl sulfoxide | 48% |
- 16002-29-2
dimethyl thiodiglycolate
- 2689-68-1
methyl 4-oxotetrahydrothiophene-3-carboxylate
| Conditions | Yield |
|---|---|
| With sodium hydride In tetrahydrofuran; mineral oil for 5h; Reflux; | 35% |
A
- 2689-68-1
methyl 4-oxotetrahydrothiophene-3-carboxylate
| Conditions | Yield |
|---|---|
| With sodium; benzene |
- 2689-68-1
methyl 4-oxotetrahydrothiophene-3-carboxylate
- 58230-46-9
4-hydroxyimino-tetrahydro-thiophene-3-carboxylic acid methyl ester
| Conditions | Yield |
|---|---|
| With hydroxylamine hydrochloride; barium carbonate In methanol Heating / reflux; | 98% |
| With hydroxylamine hydrochloride; barium carbonate In methanol for 12h; Reflux; | 98% |
- 186581-53-3, 908094-01-9
diazomethane
- 2689-68-1
methyl 4-oxotetrahydrothiophene-3-carboxylate
- 22097-91-2
methyl 2,5-dihydro-4-methoxythiophene-3-carboxylate
| Conditions | Yield |
|---|---|
| 97% |
Methyl 4-oxotetrahydrothiophene-3-carboxylate Chemical Properties
IUPAC Name: methyl 4-oxothiolane-3-carboxylate
Empirical Formula: C6H8O3S
Molecular Weight: 160.1909g/mol
EINECS: 220-256-9
Structure of 3-Thiophenecarboxylicacid, tetrahydro-4-oxo-, methyl ester (CAS NO.2689-68-1):
Index of Refraction: 1.528
Molar Refractivity: 37.69 cm3
Molar Volume: 122.3 cm3
Polarizability: 14.94×10-24cm3
Surface Tension: 47.8 dyne/cm
Density: 1.309 g/cm3
Flash Point: 116.7 °C
Enthalpy of Vaporization: 48.56 kJ/mol
Boiling Point: 248.4 °C at 760 mmHg
Vapour Pressure: 0.0243 mmHg at 25°C
Product Categories: Esters;Thiophenes & Benzothiophenes;Thiophenes & Benzothiophenes
Canonical SMILES: COC(=O)C1CSCC1=O
InChI: InChI=1S/C6H8O3S/c1-9-6(8)4-2-10-3-5(4)7/h4H,2-3H2,1H3
InChIKey: LEAKUJFYXNILRB-UHFFFAOYSA-N
Methyl 4-oxotetrahydrothiophene-3-carboxylate Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39:Wear suitable gloves and eye/face protection.
Hazard Note: Irritant
Methyl 4-oxotetrahydrothiophene-3-carboxylate Specification
3-Thiophenecarboxylicacid, tetrahydro-4-oxo-, methyl ester , its cas register number is 2689-68-1. It also can be called 4-Carbomethoxy-3-thiophanone ; EINECS 220-256-9 ; Methyl tetrahydro-4-oxo-3-thiophenecarboxylate ; NSC 127560 . 3-Thiophenecarboxylicacid, tetrahydro-4-oxo-, methyl ester (CAS NO.2689-68-1) is irritating to eyes, respiratory system and skin.
What can I do for you?
Get Best Price
