3-ETHYNYL-BENZOIC ACID METHYL ESTER
Uses- Product Name
- 3-ETHYNYL-BENZOIC ACID METHYL ESTER
- CAS No.
- 10602-06-9
- Chemical Name
- 3-ETHYNYL-BENZOIC ACID METHYL ESTER
- Synonyms
- Methyl 3-ethynylbenzoate;3-(Methoxycarbonyl)phenylacetylene;3-ETHYNYL-BENZOIC ACID METHYL ESTER;Benzoic acid, 3-ethynyl-, methyl ester
- CBNumber
- CB4846352
- Molecular Formula
- C10H8O2
- Formula Weight
- 160.17
- MOL File
- 10602-06-9.mol
3-ETHYNYL-BENZOIC ACID METHYL ESTER Property
- Melting point:
- 53.5-55℃
- Boiling point:
- 251.1±23.0 °C(Predicted)
- Density
- 1.11±0.1 g/cm3(Predicted)
- storage temp.
- under inert gas (nitrogen or Argon) at 2-8°C
- Appearance
- Off-white to brown Solid
Safety
- HS Code
- 2916310090
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
- M339648
- Product name
- Methyl3-Ethynylbenzoate
- Packaging
- 100mg
- Price
- $60
- Updated
- 2021/12/16
- Product number
- OR41056
- Product name
- Methyl 3-ethynylbenzoate
- Purity
- 98%
- Packaging
- 1g
- Price
- $65
- Updated
- 2021/12/16
- Product number
- 2923-1-25
- Product name
- Methyl 3-ethynylbenzoate
- Packaging
- 1g
- Price
- $77
- Updated
- 2021/12/16
- Product number
- AS39850
- Product name
- Methyl 3-ethynylbenzoate
- Purity
- 95%
- Packaging
- 1g
- Price
- $112
- Updated
- 2021/12/16
- Product number
- J97116
- Product name
- Methyl3-ethynylbenzoate
- Packaging
- 1g
- Price
- $49
- Updated
- 2021/12/16
3-ETHYNYL-BENZOIC ACID METHYL ESTER Chemical Properties,Usage,Production
Uses
Methyl 3-ethynylbenzoate is a useful research chemical.
Synthesis
67-56-1
914943-91-2
10602-06-9
Tert-butyl 3-ethynylbenzoate (117) (1.50 g, 9.37 mmol) was dissolved in anhydrous dichloromethane (DCM) (70 mL) and trifluoroacetic acid (TFA) (35.9 mL, 488 mmol) was added slowly. The reaction mixture was stirred at room temperature for 3 hours and then concentrated under vacuum. Toluene was then added and concentrated again under vacuum to give a light yellow solid. The solid was dissolved in methanol (50 mL) and concentrated again. Concentrated sulfuric acid (about 1 mL) was added and the resulting solution was stirred at 85°C for 20 hours. After completion of the reaction, it was cooled to room temperature and the volatiles were removed under vacuum. The residue was diluted with ethyl acetate (EtOAc) (200 mL) and slowly neutralized with saturated aqueous sodium bicarbonate (NaHCO3) (100 mL). The organic and aqueous layers were separated and the aqueous layer was further extracted with ethyl acetate (200 mL). The organic layers were combined, washed sequentially with water (100 mL) and brine (100 mL), dried over anhydrous magnesium sulfate (MgSO4), filtered and concentrated in vacuo to afford methyl 3-alkynylbenzoate (131) (1.136 g, 96% overall yield in two steps) as a pale yellow solid. The product was confirmed by 1H NMR (400 MHz, CDCl3): δ 8.17 (t, J = 1.5 Hz, 1H), 8.03-8.00 (m, 1H), 7.66 (dt, J = 7.7, 1.4 Hz, 1H), 7.41 (td, J = 7.8, 0.4 Hz, 1H), 3.93 (s, 3H), 3.12 (s, 1H) . the LCMS analysis method C showed a retention time of 5.84 min.
References
[1] Patent: WO2014/27199, 2014, A1. Location in patent: Page/Page column 75
[2] Patent: WO2012/110773, 2012, A1. Location in patent: Page/Page column 73
3-ETHYNYL-BENZOIC ACID METHYL ESTER Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 3-ETHYNYL-BENZOIC ACID METHYL ESTER manufacturers
- Product
- 3-ETHYNYL-BENZOIC ACID METHYL ESTER 10602-06-9
- Price
- US $1.00/KG
- Min. Order
- 1KG
- Purity
- 98%
- Supply Ability
- 150KG
- Release date
- 2019-07-09