Methyl 4-(2-cyanophenyl)benzoate

Base Information

Chemical Name:Methyl 4-(2-cyanophenyl)benzoate
CAS No.:89900-98-1
Molecular Formula:C15H11NO2
Molecular Weight:237.25
Hs Code.:2926909090
DSSTox Substance ID:DTXSID50362685
Wikidata:Q82145998
Mol file:89900-98-1.mol

Synonyms:Methyl 4-(2-cyanophenyl)benzoate;89900-98-1;Methyl 2'-cyano-[1,1'-biphenyl]-4-carboxylate;Methyl2'-cyano-[1,1'-biphenyl]-4-carboxylate;SCHEMBL6165708;DTXSID50362685;MFCD05981835;AKOS004113971;BS-29713;4-(2'-Cyanophenyl)benzoic acid methyl ester;BB 0222627;methyl 2'-cyano[1,1'-biphenyl]-4-carboxylate

Suppliers and Price of Methyl 4-(2-cyanophenyl)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

TRC
Methyl4-(2-cyanophenyl)benzoate
1g
$ 100.00

Crysdot
Methyl2'-cyano-[1,1'-biphenyl]-4-carboxylate 95+%
25g
$ 565.00

American Custom Chemicals Corporation
METHYL-2'-CYANO-[1,1'-BIPHENYL]-4-CARBOXYLATE 95.00%
5MG
$ 503.94

Alichem
Methyl2'-cyano-[1,1'-biphenyl]-4-carboxylate
25g
$ 622.39

AK Scientific
Methyl2'-cyano-[1,1'-biphenyl]-4-carboxylate
5g
$ 291.00

AK Scientific
Methyl2'-cyano-[1,1'-biphenyl]-4-carboxylate
1g
$ 131.00

Total 5 raw suppliers

Chemical Property of Methyl 4-(2-cyanophenyl)benzoate

Chemical Property:

PSA：50.09000
LogP:3.01188
Storage Temp.:2-8°C
XLogP3:3.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:237.078978594
Heavy Atom Count:18
Complexity:336

Purity/Quality:

98%+ ^*data from raw suppliers

Methyl4-(2-cyanophenyl)benzoate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=CC=C(C=C1)C2=CC=CC=C2C#N

Technology Process of Methyl 4-(2-cyanophenyl)benzoate

There total 5 articles about Methyl 4-(2-cyanophenyl)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: 77.0%

: 873-32-5
2-Chlorobenzonitrile

: 1126-46-1
Methyl 4-chlorobenzoate

: 4341-02-0
biphenyl-2,2'-dicarbonitrile

: 89900-98-1
methyl 2'-cyano-[1,1'-biphenyl]-4-carboxylate

Guidance literature:: With manganese; cobalt (II) bromide; triphenylphosphine; trifluoroacetic acid; In pyridine; N,N-dimethyl-formamide; at 50 ℃;
DOI:10.1002/anie.200704402

Reference yield: 61.0%

: 873-32-5
2-Chlorobenzonitrile

: 17763-71-2
4-carbomethoxyphenyl triflate

: 89900-98-1
methyl 2'-cyano-[1,1'-biphenyl]-4-carboxylate

Guidance literature:: With nickel(II) chloride2-methoxyethyl ether; 1,4-di(diphenylphosphino)-butane; 4,4'-di-tert-butyl-2,2'-bipyridine; lithium chloride; palladium dichloride; zinc; In 1-methyl-pyrrolidin-2-one; N,N-dimethyl-formamide; at 20 - 80 ℃; for 24h; Inert atmosphere;
DOI:10.1021/jacs.9b05461

Reference yield:

: 2042-37-7
o-cyanobromobenzene

: 619-44-3
methyl 4-iodobenzoate

: 89900-98-1
methyl 2'-cyano-[1,1'-biphenyl]-4-carboxylate

Guidance literature:: o-cyanobromobenzene; With n-butyllithium; In tetrahydrofuran; hexane; at 24 ℃; for 1.63889E-05h; Flow reactor;

With Trimethyl borate; In tetrahydrofuran; hexane; at 24 ℃; for 0.000555556h; Flow reactor;

methyl 4-iodobenzoate; In tetrahydrofuran; methanol; hexane; at 120 ℃; for 0.156667h; Temperature; Flow reactor;
DOI:10.1039/c5cy02098k