396583
4′-(Methylthio)acetophenone
97%
Manufacturer: Sigma Aldrich
CAS Number: 1778-09-2
Select a Size
| Pack Size | SKU | Availability | Price |
|---|---|---|---|
| 1 G | 396583-1-G | In Stock | ₹ 2,349.03 |
396583 - 1 G
In Stock
Quantity
1
Base Price: ₹ 2,349.03
GST (18%): ₹ 422.825
Total Price: ₹ 2,771.855
Quality Level
100
Assay
97%
mp
80-82 °C (lit.)
SMILES string
CSc1ccc(cc1)C(C)=O
InChI
1S/C9H10OS/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H3
InChI key
JECUZQLBQKNEMW-UHFFFAOYSA-N
Description
- General description: 4′-(Methylthio)acetophenone (4-(Methylthio)acetophenone, p-(methylthio) acetophenone, 4-MTAP) is a sulphur containing organic building block. It is a key intermediate in drug synthesis. Its industrial preparation, via Friedel-Crafts acylation reaction in the presence of aluminium chloride as catalyst and acetyl chloride as acylating agent has been reported.[1] It has been prepared by the acetylation reaction of thioanisole with acetic anhydride in the presence of solid acid catalyst.[2]
- Application: 4′-(Methylthio)acetophenone may be used for the synthesis of Vioxx (Rofecoxib), an non-steroidal anti-inflammatory drug (NSAID).[1] It may be used in the synthesis of (E)-1-[4-(methylsulfanyl)phenyl]-3-phenylprop-2-en-1-one.[3]
SAFETY INFORMATION
Pictograms
Signal Word
Warning
Hazard Statements
Precautionary Statements
P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Compare Similar Items
Show Difference
Quality Level: 100
Assay: 97%
mp: 80-82 °C (lit.)
SMILES string: CSc1ccc(cc1)C(C)=O
InChI: 1S/C9H10OS/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H3
InChI key: JECUZQLBQKNEMW-UHFFFAOYSA-N
Quality Level:
100
Assay:
97%
mp:
80-82 °C (lit.)
SMILES string:
CSc1ccc(cc1)C(C)=O
InChI:
1S/C9H10OS/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H3
InChI key:
JECUZQLBQKNEMW-UHFFFAOYSA-N
Quality Level: 100
Assay: __
mp: 75 °C (dec.) (lit.)
SMILES string: Cl.CCOC=N
InChI: 1S/C3H7NO.ClH/c1-2-5-3-4;/h3-4H,2H2,1H3;1H
InChI key: JPUTTYRVDANTBN-UHFFFAOYSA-N
Quality Level:
100
Assay:
__
mp:
75 °C (dec.) (lit.)
SMILES string:
Cl.CCOC=N
InChI:
1S/C3H7NO.ClH/c1-2-5-3-4;/h3-4H,2H2,1H3;1H
InChI key:
JPUTTYRVDANTBN-UHFFFAOYSA-N
Quality Level: 100
Assay: 98%
mp: 95-98 °C (lit.)
SMILES string: Nc1ccc(Cl)cc1C(=O)c2ccccc2F
InChI: 1S/C13H9ClFNO/c14-8-5-6-12(16)10(7-8)13(17)9-3-1-2-4-11(9)15/h1-7H,16H2
InChI key: GTGMXPIQRQSORU-UHFFFAOYSA-N
Quality Level:
100
Assay:
98%
mp:
95-98 °C (lit.)
SMILES string:
Nc1ccc(Cl)cc1C(=O)c2ccccc2F
InChI:
1S/C13H9ClFNO/c14-8-5-6-12(16)10(7-8)13(17)9-3-1-2-4-11(9)15/h1-7H,16H2
InChI key:
GTGMXPIQRQSORU-UHFFFAOYSA-N
Quality Level: 100
Assay: ≥99.9%
mp: 113-115 °C (lit.)
SMILES string: CC(=O)Nc1ccccc1
InChI: __
InChI key: __
Quality Level:
100
Assay:
≥99.9%
mp:
113-115 °C (lit.)
SMILES string:
CC(=O)Nc1ccccc1
InChI:
__
InChI key:
__