Methyl 5-cyano-2-methylbenzoate

Modify Date: 2025-08-26 12:58:34

Methyl 5-cyano-2-methylbenzoate Structure
Methyl 5-cyano-2-methylbenzoate structure
 Common Name Methyl 5-cyano-2-methylbenzoate
CAS Number 103261-68-3 Molecular Weight 175.184
Density 1.2±0.1 g/cm3 Boiling Point 288.4±28.0 °C at 760 mmHg
Molecular Formula C10H9NO2 Melting Point N/A
MSDS N/A Flash Point 132.0±10.8 °C

 Names

Name methyl 5-cyano-2-methylbenzoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.2±0.1 g/cm3
Boiling Point 288.4±28.0 °C at 760 mmHg
Molecular Formula C10H9NO2
Molecular Weight 175.184
Flash Point 132.0±10.8 °C
Exact Mass 175.063324
PSA 50.09000
LogP 2.28
Vapour Pressure 0.0±0.6 mmHg at 25°C
Index of Refraction 1.530
InChIKey NLJITVMSLMNYSZ-UHFFFAOYSA-N
SMILES COC(=O)c1cc(C#N)ccc1C

 Synthetic Route

Methyl 5-amino-2-methylbenzoate structure

Methyl 5-amino-...

CAS#:18595-12-5

Copper cyanide structure

Copper cyanide

CAS#:544-92-3

POTASSIUM CYANIDE structure

POTASSIUM CYANIDE

CAS#:151-50-8

~41%

Methyl 5-cyano-2-methylbenzoate Structure

Methyl 5-cyano-...

CAS#:103261-68-3

Literature: PHARMACIA and UPJOHN COMPANY Patent: WO2004/18414 A2, 2004 ; Location in patent: Page 111 ;
Methanol structure

Methanol

CAS#:67-56-1

carbon monoxide structure

carbon monoxide

CAS#:201230-82-2

3-Iodo-4-methylbenzonitrile structure

3-Iodo-4-methyl...

CAS#:42872-79-7

~63%

Methyl 5-cyano-2-methylbenzoate Structure

Methyl 5-cyano-...

CAS#:103261-68-3

Literature: Wang, Le; Wang, Gary T.; Wang, Xilu; Tong, Yunsong; Sullivan, Gerry; Park, David; Leonard, Nicholas M.; Li, Qun; Cohen, Jerry; Gu, Wen-Zhen; Zhang, Haiying; Bauch, Joy L.; Jakob, Clarissa G.; Hutchins, Charles W.; Stoll, Vincent S.; Marsh, Kennan; Rosenberg, Saul H.; Sham, Hing L.; Lin, Nan-Horng Journal of Medicinal Chemistry, 2004 , vol. 47, # 3 p. 612 - 626
2-Methyl-5-nitrobenzoic acid structure

2-Methyl-5-nitr...

CAS#:1975-52-6

~%

Methyl 5-cyano-2-methylbenzoate Structure

Methyl 5-cyano-...

CAS#:103261-68-3

Literature: Thorarensen, Atli; Wakefield, Brian D.; Romero, Donna L.; Marotti, Keith R.; Sweeney, Michael T.; Zurenko, Gary E.; Rohrer, Douglas C.; Han, Fusen; Bryant Jr., Garold L. Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 10 p. 2823 - 2827
Methyl 2-methyl-5-nitrobenzoate structure

Methyl 2-methyl...

CAS#:77324-87-9

~%

Methyl 5-cyano-2-methylbenzoate Structure

Methyl 5-cyano-...

CAS#:103261-68-3

Literature: Thorarensen, Atli; Wakefield, Brian D.; Romero, Donna L.; Marotti, Keith R.; Sweeney, Michael T.; Zurenko, Gary E.; Rohrer, Douglas C.; Han, Fusen; Bryant Jr., Garold L. Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 10 p. 2823 - 2827
Methyl 5-amino-2-methylbenzoate structure

Methyl 5-amino-...

CAS#:18595-12-5

Copper cyanide structure

Copper cyanide

CAS#:544-92-3

~42%

Methyl 5-cyano-2-methylbenzoate Structure

Methyl 5-cyano-...

CAS#:103261-68-3

Literature: Thorarensen, Atli; Wakefield, Brian D.; Romero, Donna L.; Marotti, Keith R.; Sweeney, Michael T.; Zurenko, Gary E.; Rohrer, Douglas C.; Han, Fusen; Bryant Jr., Garold L. Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 10 p. 2823 - 2827
3-Amino-p-tolunitrile structure

3-Amino-p-tolun...

CAS#:60710-80-7

~%

Methyl 5-cyano-2-methylbenzoate Structure

Methyl 5-cyano-...

CAS#:103261-68-3

Literature: Wang, Le; Wang, Gary T.; Wang, Xilu; Tong, Yunsong; Sullivan, Gerry; Park, David; Leonard, Nicholas M.; Li, Qun; Cohen, Jerry; Gu, Wen-Zhen; Zhang, Haiying; Bauch, Joy L.; Jakob, Clarissa G.; Hutchins, Charles W.; Stoll, Vincent S.; Marsh, Kennan; Rosenberg, Saul H.; Sham, Hing L.; Lin, Nan-Horng Journal of Medicinal Chemistry, 2004 , vol. 47, # 3 p. 612 - 626
Methanol structure

Methanol

CAS#:67-56-1

Copper cyanide structure

Copper cyanide

CAS#:544-92-3

POTASSIUM CYANIDE structure

POTASSIUM CYANIDE

CAS#:151-50-8

~%

Methyl 5-cyano-2-methylbenzoate Structure

Methyl 5-cyano-...

CAS#:103261-68-3

Literature: PHARMACIA and UPJOHN COMPANY Patent: WO2004/18414 A2, 2004 ; Location in patent: Page 108 ;
Methanol structure

Methanol

CAS#:67-56-1

5-Cyano-2-methyl-benzoic acid structure

5-Cyano-2-methy...

CAS#:1975-54-8

~%

Methyl 5-cyano-2-methylbenzoate Structure

Methyl 5-cyano-...

CAS#:103261-68-3

Literature: Peltier Bulletin de la Societe Scientifique de Bretagne, 1956 , vol. 31, p. Sonderheft S.9,41
diazomethane structure

diazomethane

CAS#:186581-53-3

4-methylbenzene-1,3-dicarbonitrile structure

4-methylbenzene...

CAS#:1943-88-0

~%

methyl 3-cyano-4-methylbenzoate structure

methyl 3-cyano-...

CAS#:35066-32-1

Methyl 5-cyano-2-methylbenzoate Structure

Methyl 5-cyano-...

CAS#:103261-68-3

Literature: Crosby, John; Moilliet, Jock; Parratt, Julian S.; Turner, Nicolas J. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1994 , # 13 p. 1679 - 1688

 Synonyms

5-Cyan-2-methyl-benzoesaeure-methylester
Methyl 5-cyano-2-methylbenzoate
Benzoic acid, 5-cyano-2-methyl-, methyl ester
methyl 3-cyano-6-methylbenzoate
5-cyano-2-methyl-benzoic acid methyl ester
Benzoic acid,5-cyano-2-methyl-,methyl ester
2-Methyl-5-cyanobenzoic Acid Methyl Ester
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