Methyl 4-(2-cyanopropan-2-yl)benzoate

Base Information

Chemical Name:Methyl 4-(2-cyanopropan-2-yl)benzoate
CAS No.:129488-73-9
Molecular Formula:
Molecular Weight:203.24
Hs Code.:
European Community (EC) Number:819-595-0
Mol file:129488-73-9.mol

Synonyms:methyl 4-(2-cyanopropan-2-yl)benzoate;129488-73-9;Benzoic acid, 4-(1-cyano-1-methylethyl)-, methyl ester;methyl 4-(1-cyano-1-methylethyl)benzoate;SCHEMBL1756221;FIMMFBPABAIKED-UHFFFAOYSA-N;MFCD19694853;methyl4-(2-cyanopropan-2-yl)benzoate;BS-50841;CS-0161007;D85972;EN300-192156

Suppliers and Price of Methyl 4-(2-cyanopropan-2-yl)benzoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Ambeed
Methyl4-(2-cyanopropan-2-yl)benzoate 97%
1g
$ 476.00

Ambeed
Methyl4-(2-cyanopropan-2-yl)benzoate 97%
250mg
$ 189.00

Ambeed
Methyl4-(2-cyanopropan-2-yl)benzoate 97%
100mg
$ 118.00

Total 5 raw suppliers

Chemical Property of Methyl 4-(2-cyanopropan-2-yl)benzoate

Chemical Property:

Melting Point:45-50 °C
Boiling Point:323.0±25.0 °C(Predicted)
PSA：0.00000
Density:1.084±0.06 g/cm3(Predicted)
LogP:0.00000
Storage Temp.:Sealed in dry,Room Temperature
XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:203.094628657
Heavy Atom Count:15
Complexity:279

Purity/Quality:

98% ^*data from raw suppliers

Methyl4-(2-cyanopropan-2-yl)benzoate 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)(C#N)C1=CC=C(C=C1)C(=O)OC

Technology Process of Methyl 4-(2-cyanopropan-2-yl)benzoate

There total 5 articles about Methyl 4-(2-cyanopropan-2-yl)benzoate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 96.0%

: 76469-88-0
methyl 4-(cyanomethyl)benzoate

: 77-78-1
dimethyl sulfate

: 129488-73-9
methyl 4-(1-cyano-1-methylethyl)-benzoate

Guidance literature:: methyl 4-(cyanomethyl)benzoate; With tetrabutylammomium bromide; sodium hydroxide; In water; at 20 ℃; Large scale reaction;

dimethyl sulfate; In water; at 0 - 3 ℃; for 4h;
DOI:10.1021/op100090j

Reference yield: 82.0%

: 851233-80-2
potassium 2-cyano-2-methyl-propanoate

: 17763-71-2
4-carbomethoxyphenyl triflate

: 129488-73-9
methyl 4-(1-cyano-1-methylethyl)-benzoate

Guidance literature:: With bis(η3-allyl-μ-chloropalladium(II)); 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In 1,3,5-trimethyl-benzene; at 20 - 140 ℃; for 10.1667h; chemoselective reaction; Inert atmosphere; Sealed tube;
DOI:10.1002/anie.201006763

Reference yield: 74.0%

: 76469-88-0
methyl 4-(cyanomethyl)benzoate

: 74-88-4
methyl iodide

: 129488-73-9
methyl 4-(1-cyano-1-methylethyl)-benzoate

Guidance literature:: methyl 4-(cyanomethyl)benzoate; With sodium hydride; In tetrahydrofuran; mineral oil; at 0 ℃; for 0.166667h;

methyl iodide; In tetrahydrofuran; mineral oil; at 0 ℃; for 2h;