Methyl 3-ethynylbenzoate

Modify Date: 2024-01-02 20:04:52

Methyl 3-ethynylbenzoate Structure
Methyl 3-ethynylbenzoate structure
Common Name Methyl 3-ethynylbenzoate
CAS Number 10602-06-9 Molecular Weight 160.169
Density 1.1±0.1 g/cm3 Boiling Point 251.1±23.0 °C at 760 mmHg
Molecular Formula C10H8O2 Melting Point N/A
MSDS N/A Flash Point 98.0±20.0 °C

 Names

Name Methyl 3-ethynylbenzoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.1±0.1 g/cm3
Boiling Point 251.1±23.0 °C at 760 mmHg
Molecular Formula C10H8O2
Molecular Weight 160.169
Flash Point 98.0±20.0 °C
Exact Mass 160.052429
PSA 26.30000
LogP 2.38
Vapour Pressure 0.0±0.5 mmHg at 25°C
Index of Refraction 1.538

 Safety Information

HS Code 2916399090

 Synthetic Route

~90%

Methyl 3-ethynylbenzoate Structure

Methyl 3-ethyny...

CAS#:10602-06-9

Literature: Gao, Mingshan; Duan, Lei; Luo, Jinfeng; Zhang, Lianwen; Lu, Xiaoyun; Zhang, Yan; Zhang, Zhang; Tu, Zhengchao; Xu, Yong; Ren, Xiaomei; Ding, Ke Journal of Medicinal Chemistry, 2013 , vol. 56, # 8 p. 3281 - 3295

~72%

Methyl 3-ethynylbenzoate Structure

Methyl 3-ethyny...

CAS#:10602-06-9

Literature: Havens, Stephen J.; Hergenrother, Paul M. Journal of Organic Chemistry, 1985 , vol. 50, # 10 p. 1763 - 1765

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Methyl 3-ethynylbenzoate Structure

Methyl 3-ethyny...

CAS#:10602-06-9

Literature: Journal of Medicinal Chemistry, , vol. 47, # 6 p. 1475 - 1486

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Methyl 3-ethynylbenzoate Structure

Methyl 3-ethyny...

CAS#:10602-06-9

Literature: WO2012/110773 A1, ; WO 2012/110773 A1

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Methyl 3-ethynylbenzoate Structure

Methyl 3-ethyny...

CAS#:10602-06-9

Literature: WO2012/110773 A1, ; WO 2012/110773 A1

~96%

Methyl 3-ethynylbenzoate Structure

Methyl 3-ethyny...

CAS#:10602-06-9

Literature: CANCER THERAPEUTICS CRC PTY LTD; DEVLIN, Mark Graeme; STREET, Ian Philip; TONG, Warwick Bonner Patent: WO2014/27199 A1, 2014 ; Location in patent: Page/Page column 75 ;

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Methyl 3-ethynylbenzoate Structure

Methyl 3-ethyny...

CAS#:10602-06-9

Literature: Tetrahedron, , vol. 56, # 3 p. 407 - 415

~%

Methyl 3-ethynylbenzoate Structure

Methyl 3-ethyny...

CAS#:10602-06-9

Literature: WO2012/110773 A1, ; WO 2012/110773 A1

 Customs

HS Code 2916399090
Summary 2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Synonyms

3-ETHYNYL-BENZOIC ACID METHYL ESTER
3-methoxycarbonylphenylacetylene
methyl-3-ethynylbenzoate
Methyl 3-ethynylbenzoate
3-ethinylbenzoic acid methyl ester
Benzoic acid, 3-ethynyl-, methyl ester
BENZOIC ACID,3-ETHYNYL-,METHYL ESTER