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3,5-Bis(2-cyanoprop-2-yl)toluene

3,5-Bis(2-cyanoprop-2-yl)toluene Structure
3,5-Bis(2-cyanoprop-2-yl)toluene structure
CAS No.
120511-72-0
Chemical Name:
3,5-Bis(2-cyanoprop-2-yl)toluene
Synonyms
Anastrozole Related CoMpound A;2,2'-(5-Methyl-1,3-phenylene)bis(2-methylpropanenitrile);2-(5-methyl-1;AnastrozoleImp.A;Compound PDK0045;1,α3,αAnastrozole Impurity H;Anastrozole EP Impuriyt H;Anastrozole EP Impurity H
CBNumber:
CB4277147
Molecular Formula:
C15H18N2
Molecular Weight:
226.32
MDL Number:
MFCD08062446
MOL File:
120511-72-0.mol
MSDS File:
SDS
Last updated:2026-05-28 05:41:15
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3,5-Bis(2-cyanoprop-2-yl)toluene Properties

Melting point 127-130°C
Boiling point 339.1±32.0 °C(Predicted)
Density 1.002±0.06 g/cm3(Predicted)
storage temp. Sealed in dry,Room Temperature
solubility Chloroform (Sparingly), Methanol (Slightly)
form Solid
color White to Off-White
Major Application pharmaceutical (small molecule)
InChI InChI=1S/C15H18N2/c1-11-6-12(14(2,3)9-16)8-13(7-11)15(4,5)10-17/h6-8H,1-5H3
InChIKey SJECEXNMZXMXNE-UHFFFAOYSA-N
SMILES C1(=CC(C)=CC(C(C)(C)C#N)=C1)C(C)(C)C#N
CAS DataBase Reference 120511-72-0(CAS DataBase Reference)
FDA UNII 3E89N64V9Z
UNSPSC Code 41116107
NACRES NA.24

SAFETY

Risk and Safety Statements

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P305+P351+P338
WGK Germany  WGK 3
HS Code  2926900005
Storage Class 11 - Combustible Solids
REACH Registrations Inactive

3,5-Bis(2-cyanoprop-2-yl)toluene price More Price(53)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
TRC TRC-T303615-1G a,a,a’,a’-Tetramethyl-5-methyl-1,3-benzenediacetonitrile 120511-72-0 1g $99 2026-06-03 Buy
TRC TRC-T303615-10G a,a,a’,a’-Tetramethyl-5-methyl-1,3-benzenediacetonitrile 120511-72-0 10g $200 2026-06-03 Buy
TRC TRC-T303615-100G a,a,a’,a’-Tetramethyl-5-methyl-1,3-benzenediacetonitrile 120511-72-0 100g $1015 2026-06-03 Buy
Usbiological 021651 α,α,α’,α’-Tetramethyl-5-methyl-1,3-benzenediacetonitrile 120511-72-0 1g $333 2026-06-03 Buy
Apolloscientific OR315770 3,5-Bis(2-cyanoprop-2-yl)toluene 98% 120511-72-0 5g $21 2026-06-04 Buy
Product number Packaging Price Buy
TRC-T303615-1G 1g $99 Buy
TRC-T303615-10G 10g $200 Buy
TRC-T303615-100G 100g $1015 Buy
021651 1g $333 Buy
OR315770 5g $21 Buy

3,5-Bis(2-cyanoprop-2-yl)toluene Chemical Properties, Uses, Production

Chemical Properties

3,5-Bis(2-cyanoprop-2-yl)toluene is White Solid

Uses

3,5-Bis(2-cyanoprop-2-yl)toluene is a labelled intermediate in the synthesis of Anastrozole, an aromatase inhibitor. Used as an antineoplastic.

Uses

α,α,α’,α’-Tetramethyl-5-methyl-1,3-benzenediacetonitrile (Anastrozole EP Impurity H) is an intermediate in the synthesis of Anastrozole (A637425), an aromatase inhibitor. Used as an antineoplastic.

Uses

An intermediate in the synthesis of Anastrozole (A637425), an aromatase inhibitor. Used as an antineoplastic.

Synthesis

5-Methyl-1,3-benzenediacetonitrile

120511-74-2

Iodomethane

74-88-4

3,5-Bis(2-cyanoprop-2-yl)toluene

120511-72-0

General procedure for the synthesis of 5,α,α,α,α',α'-pentamethyl-1,3-benzenediacetonitrile from 2,2'-(5-methyl-1,3-phenylene)bisacetonitrile and iodomethane: A mixture of 3,5-bis(cyano-methyl)toluene (800 g, 4.70 mol), methyl iodide (2,935.2 g, 20.68 mol) and dimethylformamide (11.20 L) was was cooled to 0°C to 5°C. A dispersion of 60% sodium hydride in mineral oil (864.2 g, 36.0 mol) was added in batches over 1 to 1.5 hours. Subsequently, the reaction mixture was gradually warmed to room temperature and stirred continuously for 2 to 2.5 hours. The progress of the reaction was monitored by thin layer chromatography (TLC, unfolding agent was hexane: ethyl acetate = 7.5:2.5). After confirming the completion of the reaction, ethyl acetate was added to quench the excess sodium hydride. The reaction mixture was diluted with water and extracted with dichloromethane (3 x 5 L). The organic phase was combined and washed with brine (5 L). The organic phase was decolorized with activated charcoal for 1 h at room temperature and subsequently concentrated to dryness under reduced pressure at 40°C to 45°C. The resulting residue was dissolved in carbon tetrachloride (2400 mL) at 70°C to 75°C and gradually cooled to 10°C to 15°C with stirring for 1 hour. The solution was further cooled to -5°C to 0°C and stirring was continued for 3 hours. Finally, the stirred suspension was filtered, the filter cake was washed with pre-cooled carbon tetrachloride (500 mL) and dried under vacuum at 40 °C to 45 °C to give 3,5-bis(1-cyano-1-methylethyl)toluene (748.0 g, 70.3% yield).

References

[1] Organic and Biomolecular Chemistry, 2007, vol. 5, # 18, p. 2940 - 2952
[2] Patent: WO2006/836, 2006, A1. Location in patent: Page/Page column 2; 9-10; 14; Figure 2
[3] Patent: US2006/189670, 2006, A1. Location in patent: Page/Page column 5-7
[4] Patent: WO2007/39913, 2007, A1. Location in patent: Page/Page column 13-14
[5] Patent: US2008/207915, 2008, A1. Location in patent: Page/Page column 5

3,5-Bis(2-cyanoprop-2-yl)toluene synthesis

120511-74-2
74-88-4
120511-72-0
Synthesis of 3,5-Bis(2-cyanoprop-2-yl)toluene from 5-Methyl-1,3-benzenediacetonitrile and Iodomethane

3,5-Bis(2-cyanoprop-2-yl)toluene Preparation Products And Raw materials

Raw materials

potassium 2-cyano-2-methylpropanoate 3,5-Dibromotoluene 2-[3-(2-cyanopropan-2-yl)-5-(1,2,4-triazol-4-ylmethyl)phenyl]-2-methyl-propaneni 2-cyano-2-methylpropanoic acid 3,5-Diiodotoluene
3,5-Bis(2-cyanoprop-2-yl)benzyl bromide Anastrozole 1,2,4-Triazolylsodium Methyl p-toluenesulfonate Iodomethane
5-Methyl-1,3-benzenediacetonitrile

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Preparation Products

3,5-Bis(2-cyanoprop-2-yl)toluene Suppliers

Global Suppliers ( 316)
Supplier Tel Email Country ProdList Advantage
Hangzhou Lenny Technology Co. , Ltd. 571-88086013 sunnie@rdpharm.com China 105 60
J & K SCIENTIFIC LTD. 18210857532 18210857532 jkinfo@jkchemical.com China 96815 76
Capot Chemical Co., Ltd +86 (0) 571 85 58 67 18 China 18187 66
Adamas Reagent, Ltd. 400-6009262 15618770481 yhx@titansci.com China 14098 59
Shanghai Harvest Chemical Industrial Co., Ltd. 15721252604 17321035817 sales@harvest-chem.com China 2829 64
Shanghai Hanhong Scientific Co.,Ltd. 021-54306202 13764082696 info@hanhongsci.com China 42917 64
Chemsky（shanghai）International Co.,Ltd. 021-50135380 shchemsky@sina.com China 32273 50
Shanghai Ennopharm Co., Ltd. +86 (21) 6435-5022 China 4263 65
Syntechem Co.,Ltd info@syntechem.com China 12973 57
Tianjin heowns Biochemical Technology Co., Ltd. 400 638 7771 sales@heowns.com China 14412 57
Supplier Advantage
Hangzhou Lenny Technology Co. , Ltd. 60
J & K SCIENTIFIC LTD. 76
Capot Chemical Co., Ltd 66
Adamas Reagent, Ltd. 59
Shanghai Harvest Chemical Industrial Co., Ltd. 64
Shanghai Hanhong Scientific Co.,Ltd. 64
Chemsky（shanghai）International Co.,Ltd. 50
Shanghai Ennopharm Co., Ltd. 65
Syntechem Co.,Ltd 57
Tianjin heowns Biochemical Technology Co., Ltd. 57

View Latest Price from 3,5-Bis(2-cyanoprop-2-yl)toluene manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
3,5-Bis(2-cyanoprop-2-yl)toluene pictures 2026-09-16 3,5-Bis(2-cyanoprop-2-yl)toluene
120511-72-0
 1KG 98.5%min 500kg WUHAN FORTUNA CHEMICAL CO., LTD
3,5-Bis(2-cyanoprop-2-yl)toluene pictures 2025-04-04 3,5-Bis(2-cyanoprop-2-yl)toluene
120511-72-0
 1kg 98% 1Ton Henan Aochuang Chemical Co.,Ltd.
3,5-Bis(2-cyanoprop-2-yl)toluene pictures 2019-07-06 3,5-Bis(2-cyanoprop-2-yl)toluene
120511-72-0
 $10.00 1KG 99% 1000kg Career Henan Chemical Co

3,5-Bis(2-cyanoprop-2-yl)toluene Spectrum

3,5-Bis(2-cyanoprop-2-yl)toluene(120511-72-0)1HNMR3,5-Bis(2-cyanoprop-2-yl)toluene(120511-72-0)1HNMR

120511-72-0 (3,5-Bis(2-cyanoprop-2-yl)toluene) Related Search:

Methyl 4-cyanobenzoate 2,2-Dibromo-2-cyanoacetamide Methyl acetate Tribenuron methyl Pirimiphos-methyl
3'-(Trifluoromethyl)acetophenone Methyl salicylate p-Nitrophenylacetonitrile Pentamethylbenzene Diphenylacetonitrile
2'-Methylacetophenone Kresoxim-methyl Ibandronate sodium monohydrate Thiophanate-methyl Metsulfuron methyl
4-Bromo-2,2-diphenylbutyronitrile Bromopentamethylbenzene 1,2,3-Triacetyl-5-deoxy-D-ribose

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PENTAMETHYL-1,3-BENZENEDIACETONITRILE 2,2'-(5-METHYL-1,3-PHENYLENE)DI(2-METHYLPROPANENITRILE) 2,2'-(5-methyl-1,3-phenylene)di(2-methylpropionitrile) 3,5-Bis (2-cyanoisopropyl ) toluene 2,2’-(5-Methyl-1,3-phenylene)-di(2-methylpropiononitrile 2,2-(5-Methyl-1,3-Phenylene)-Bis-(2-Methyl-Propionitrile) 3,5-Bis(2-Cyanoisopropyl)Toluene(ForAnastrozole) 2,2-(5-methyl-1,3-phenylene)di(2-methylpropiononitrile (intermediate of anastrozole) 5-a,a,a',a'-Pentamethyl-1,3-Benzenediacetonitrile -(5-Methyl-1,3-phenylene)-di(2-methylpropiononitrile A,A,A'',A'',5-PENTAMETHYL1,3 BENZENEDIACETONITRIL 2-[3-(CYANO-DIMETHYL-METHYL)-5-METHYL-PHENYL]-2-METHYLPROPIONITRIL 2,2’-(5-Methyl-m-phenylene)bis-(2-methyl-propionitrile) A,A,A',A',5-PENTAMETHYL-1,3 BENZENEDIACETONITRILE 5-PENTAMETHYL-1,3-BENZENEDIACETONITRILE 3,5-Bis(2-cyanoprop-2-yl)toluene 3,5-DI[(2,2-DIMETHYL)CYANOMETHYL]TOLUENE 2-[3-(Cyanodimethylmethyl)-5-methylphenyl]-2-methylpropionitrile 1,3-Benzenediacetonitrile, α,α,α',α',5-pentamethyl- 3,5-Bis(2-cyanoprop-2-yl)toluene 2,2'-(5-Methyl-1,3-phenylene)di(2-methylpropionitrile)a,a,a',a',5-Pentamethyl-1,3-benzenediacetonitrile 3,5-BIS(2-CYANOPROP-2-YL)TOLUENE,98% α,α,α',α',5-pentamethyl-1,3-benzenediacetonitril α,α,α’,α’-Tetramethyl-5-methyl-1,3-benzenediacetonitrile 2-[3-(1-cyano-1-methylethyl)-5-methylphenyl]-2-methylpropanenitrile Anastrozole Related Compound A (20 mg) (2,2'-(5-methyl-1,3-phenylene)bis(2-methylpropanenitrile)) 2-[2-(1-cyano-1-Methylethyl)-5-Methylphenyl]-2-Methylpropanenitrile α1,α1,α3,α3,5-PentaMethyl- α,α,α',α'-TetraMethyl-5-Methyl-1,3-benzenediacetonitrile-d12 1,&alpha 3,&alpha 3,5-pentaMethyl- 1,3-Benzenediacetonitrile, &alpha 2-(5-methyl-1 3-phenylene)-bis-(2-methyl-propionitrile) Anastrozole USP Related Compound A Anastrozole EP Impuriyt H 1,3-Benzenediacetonitrile,a1,a1,a3,a3,5-pentaMethyl- 2,2'-(5-Methyl-1,3-phenylene)di(2-Methylpropionoitrile) 2,2,2'2'-(5-Methyl-1,3-phenylene)-dimethyl-propionitrile Anastrozole EP Impurity H Anastrozole Impurity 13（EP Impurity H） 2,2'-(5-methylbenzene-1,3-diyl)bis(2-methylpropanenitrile) 2-[3-(1-cyanoethyl)-5-methylphenyl]-2-methylpropanenitrile 2,2'-(5-Methylbenzene-1,3-diyl)bis( 1,3-Benzenediacetonitrile, α1,α1,α3,α3,5-pentamethyl- 2-[3-(2-cyanopropan-2-yl)-5-methylphenyl]-2-methylpropanenitrile 3,5-Bis(2-cyanoprop-2-yl)toluene(For export only) Anastrozole Impurity 13（Anastrozole EP Impurity H） 3,5-Bis(2-cyanoprop-2-yl)toluene ISO 9001：2015 REACH 2,2'-(5-Methyl-1,3-phenylene)di(2-methylpropionitrile) for anastrozole 2,2'-(5-Methyl-1,3-phenylene)bis Anastrozole EP Impurity H/ Anastrozole Related Compound A Anastrozole EP Impurity HQ: What is Anastrozole EP Impurity H Q: What is the CAS Number of Anastrozole EP Impurity H Q: What is the storage condition of Anastrozole EP Impurity H Q: What are the applications of Anastrozole EP Impurity H Anastrozole Related Compound A (2,2''-(5-methyl-1,3-phenylene)bis(2-methylpropanenitrile)) (1034818) α,α,α'',α''-Tetramethyl-5-methyl-1,3-benzenediacetonitrile 2,2'-(5-methyl-1,2-phenylene)-di(2-methylpropiononitrile) g . 2,2′-[5-(4h -1,2,4-tri a zol-4-ylme th yl)b e nze ne -1,3-d i yl]b i s(2-me th ylpropa ne ni tri le ), AnastrozoleImp.A