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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
Molecular Weight:
160.17
MDL Number:
MFCD08703579
MOL File:
10602-06-9.mol
MSDS File:
SDS
Last updated:2026-05-28 03:55:25
Product description Number Pack Size Price
Methyl 3-ethynylbenzoate 95% AS39850 1g $33
Methyl 3-ethynylbenzoate 98% OR41056 1g $43
Methyl 3-ethynylbenzoate 95% AS39850 5g $128
Methyl 3-ethynylbenzoate 98% OR41056 5g $157
Methyl 3-ethynylbenzoate 98% OR41056 10g $297
More product size

3-ETHYNYL-BENZOIC ACID METHYL ESTER Properties

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

Risk and Safety Statements

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H332-H335
Precautionary statements  P261-P280-P305+P351+P338
HS Code  2916310090

3-ETHYNYL-BENZOIC ACID METHYL ESTER price More Price(65)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Activate Scientific AS39850 Methyl 3-ethynylbenzoate 95% 10602-06-9 1g $33 2026-06-04 Buy
Apolloscientific OR41056 Methyl 3-ethynylbenzoate 98% 10602-06-9 1g $43 2026-06-04 Buy
Activate Scientific AS39850 Methyl 3-ethynylbenzoate 95% 10602-06-9 5g $128 2026-06-04 Buy
Apolloscientific OR41056 Methyl 3-ethynylbenzoate 98% 10602-06-9 5g $157 2026-06-04 Buy
Apolloscientific OR41056 Methyl 3-ethynylbenzoate 98% 10602-06-9 10g $297 2026-06-04 Buy
Product number Packaging Price Buy
AS39850 1g $33 Buy
OR41056 1g $43 Buy
AS39850 5g $128 Buy
OR41056 5g $157 Buy
OR41056 10g $297 Buy

3-ETHYNYL-BENZOIC ACID METHYL ESTER Chemical Properties,Uses,Production

Uses

Methyl 3-ethynylbenzoate is a useful research chemical.

Synthesis

Methanol

67-56-1

tert-Butyl 3-ethynylbenzoate

914943-91-2

3-ETHYNYL-BENZOIC ACID METHYL ESTER

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

67-56-1
914943-91-2
10602-06-9
Synthesis of 3-ETHYNYL-BENZOIC ACID METHYL ESTER from Methanol and tert-Butyl 3-ethynylbenzoate
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View Lastest Price from 3-ETHYNYL-BENZOIC ACID METHYL ESTER manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
3-ETHYNYL-BENZOIC ACID METHYL ESTER pictures 2019-07-10 3-ETHYNYL-BENZOIC ACID METHYL ESTER
10602-06-9
$1.00 1KG 98% 150KG Career Henan Chemical Co
3-ETHYNYL-BENZOIC ACID METHYL ESTER 3-(Methoxycarbonyl)phenylacetylene Benzoic acid, 3-ethynyl-, methyl ester Methyl 3-ethynylbenzoate 10602-06-9 10602-00-9