2-METHYL-THIOPHENE-3-CARBOXYLIC ACID
- Product Name
- 2-METHYL-THIOPHENE-3-CARBOXYLIC ACID
- CAS No.
- 1918-78-1
- Chemical Name
- 2-METHYL-THIOPHENE-3-CARBOXYLIC ACID
- Synonyms
- 3-Carboxy-2-methylthiophene;2-methylthiophene-3-carboxylicaci;2-Methyl-3-thiophenecarboxylic acid;3-Thiophenecarboxylicacid, 2-Methyl-;2-METHYL-THIOPHENE-3-CARBOXYLIC ACID;3-Carboxy-2-methylthiophene, 2-Methyl-3-thenoic acid
- CBNumber
- CB41511169
- Molecular Formula
- C6H6O2S
- Formula Weight
- 142.18
- MOL File
- 1918-78-1.mol
2-METHYL-THIOPHENE-3-CARBOXYLIC ACID Property
- Melting point:
- 106-111 °C
- Boiling point:
- 271.5±20.0 °C(Predicted)
- Density
- 1.319±0.06 g/cm3(Predicted)
- storage temp.
- 2-8°C(protect from light)
- form
- solid
- pka
- 4.44±0.20(Predicted)
- color
- Brown
- InChI
- InChI=1S/C6H6O2S/c1-4-5(6(7)8)2-3-9-4/h2-3H,1H3,(H,7,8)
- InChIKey
- YJZOPBSZDIBXBG-UHFFFAOYSA-N
- SMILES
- C1(C)SC=CC=1C(O)=O
Safety
- HS Code
- 2934999090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H332Harmful if inhaled
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- B486263
- Product name
- 2-Methylthiophene-3-carboxylicAcid
- Packaging
- 100mg
- Price
- $75
- Updated
- 2021/12/16
- Product number
- OR16451
- Product name
- 2-Methylthiophene-3-carboxylicacid
- Purity
- 98%
- Packaging
- 1g
- Price
- $16
- Updated
- 2021/12/16
- Product number
- 6H21-1-X2
- Product name
- 2-Methylthiophene-3-carboxylic acid
- Purity
- 98%
- Packaging
- 250mg
- Price
- $18
- Updated
- 2021/12/16
- Product number
- 6H21-1-X2
- Product name
- 2-Methylthiophene-3-carboxylic acid
- Purity
- 98%
- Packaging
- 1g
- Price
- $21
- Updated
- 2021/12/16
- Product number
- 076477
- Product name
- 2-Methylthiophene-3-carboxylic acid
- Purity
- 95+%
- Packaging
- 1g
- Price
- $29
- Updated
- 2021/12/16
2-METHYL-THIOPHENE-3-CARBOXYLIC ACID Chemical Properties,Usage,Production
Synthesis Reference(s)
Tetrahedron Letters, 21, p. 5051, 1980 DOI: 10.1016/S0040-4039(00)71130-0
Synthesis
88-13-1
74-88-4
1918-78-1
The general procedure for the synthesis of 2-methyl-3-thiophenecarboxylic acid (compound 9) from 3-thiophenecarboxylic acid (compound 8) and iodomethane was carried out as follows: the synthesis was carried out according to the method described in literature [24]. Slowly n-butyllithium (n-BuLi, 1.6 M hexane solution, 1.50 L, 2.40 mol) was added dropwise to a tetrahydrofuran (THF, 2.3 L) solution of diisopropylamine (233 g, 2.30 mol) at 0 °C. After keeping stirring at 0 °C for 40 min, the reaction mixture was cooled to -60 °C and a THF (500 mL) solution of compound 8 (223 g, 1.74 mol) was slowly added and stirring was continued for 1 h at -60 °C. Subsequently, iodomethane (MeI, 254 g, 1.79 mol) was added and the reaction mixture was gradually warmed to room temperature and stirred for 1 hour. After completion of the reaction, the mixture was concentrated under reduced pressure, acidified to pH 1 with aqueous 6N hydrochloric acid and extracted with ethyl acetate (AcOEt). The organic layer was washed with brine and dried over anhydrous sodium sulfate (Na2SO4). After filtration, the solvent was removed by concentration under reduced pressure and the residue was crystallized from water/acetic acid (H2O/AcOH) to give 209 g (85% yield) of compound 9 as a light yellow solid. Its nuclear magnetic resonance hydrogen spectrum (1H NMR, 400 MHz, CDCl3) data were as follows: δ 7.45 (d, J = 5.4 Hz, 1H), 7.01 (d, J = 5.4 Hz, 1H), 2.78 (s, 3H); mass spectrum (MS, ESI) m/z: 143 ([M + H]+), 141 ([M - H]-).
References
[1] Bioorganic and Medicinal Chemistry Letters, 2011, vol. 21, # 18, p. 5417 - 5422
[2] European Journal of Medicinal Chemistry, 2018, vol. 156, p. 269 - 294
[3] European Journal of Medicinal Chemistry, 2015, vol. 102, p. 471 - 476
[4] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1983, p. 791 - 794
[5] Patent: US6340759, 2002, B1. Location in patent: Example 290
2-METHYL-THIOPHENE-3-CARBOXYLIC ACID Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 2-METHYL-THIOPHENE-3-CARBOXYLIC ACID manufacturers
- Product
- 2-Methylthiophene-3-carboxylic acid 1918-78-1
- Price
- US $1.00/g
- Min. Order
- 1g
- Purity
- 99%
- Supply Ability
- 1ton
- Release date
- 2020-01-10