methyl (2E)-3-(2-chlorophenyl)-2-cyanoprop-2-enoate

Base Information

Chemical Name:methyl (2E)-3-(2-chlorophenyl)-2-cyanoprop-2-enoate
CAS No.:74446-19-8
Molecular Formula:C₁₁H₈ClNO₂
Molecular Weight:221.643
Hs Code.:
European Community (EC) Number:624-582-6
Nikkaji Number:J654.626I,J3.171.984D
Mol file:74446-19-8.mol

Synonyms:74446-19-8;Methyl 2-chloro-alpha-cyanocinnamate;methyl (2E)-3-(2-chlorophenyl)-2-cyanoprop-2-enoate;54440-98-1;methyl 3-(2-chlorophenyl)-2-cyanoprop-2-enoate;methyl (E)-3-(2-chlorophenyl)-2-cyanoprop-2-enoate;2-Propenoic acid, 3-(2-chlorophenyl)-2-cyano-, methyl ester;SCHEMBL21457535;MBUUIEJTXSMODJ-RMKNXTFCSA-N;MFCD00192282;STK662328;AKOS003677137;CCG-244659;Methyl 2-chloro- alpha -cyanocinnamate;Methyl 2-chloro-alpha-cyanocinnamate, 99%;EN300-258353;Methyl (2E)-3-(2-chlorophenyl)-2-cyanoacrylate;Z44298074;Acrylic acid, 3-(2-chlorophenyl)-2-cyano-, methyl ester;METHYL (E)-3-(2-CHLOROPHENYL)-2-CYANO-2-PROPENOATE;InChI=1/C11H8ClNO2/c1-15-11(14)9(7-13)6-8-4-2-3-5-10(8)12/h2-6H,1H3/b9-6

Suppliers and Price of methyl (2E)-3-(2-chlorophenyl)-2-cyanoprop-2-enoate

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
Methyl3-(2-Chlorophenyl)-2-cyanoprop-2-enoate
500mg
$ 60.00

American Custom Chemicals Corporation
METHYL 2-CHLORO-ALPHA-CYANOCINNAMATE 95.00%
10G
$ 1121.91

American Custom Chemicals Corporation
METHYL 2-CHLORO-ALPHA-CYANOCINNAMATE 95.00%
1G
$ 671.25

Total 3 raw suppliers

Chemical Property of methyl (2E)-3-(2-chlorophenyl)-2-cyanoprop-2-enoate

Chemical Property:

Melting Point:108-110 °C(lit.)
Boiling Point:352.7±32.0 °C(Predicted)
PSA：50.09000
Density:1.288±0.06 g/cm3(Predicted)
LogP:2.41998
XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:221.0243562
Heavy Atom Count:15
Complexity:316

Purity/Quality:

98%Min ^*data from raw suppliers

Methyl3-(2-Chlorophenyl)-2-cyanoprop-2-enoate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xn
Statements: 20/21/22-36/37/38
Safety Statements: 26-36

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C(=CC1=CC=CC=C1Cl)C#N
Isomeric SMILES:COC(=O)/C(=C/C1=CC=CC=C1Cl)/C#N

Technology Process of methyl (2E)-3-(2-chlorophenyl)-2-cyanoprop-2-enoate

There total 9 articles about methyl (2E)-3-(2-chlorophenyl)-2-cyanoprop-2-enoate 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: 98.0%

: 89-98-5
2-chloro-benzaldehyde

: 105-34-0
methyl 2-cyanoacetate

: 74446-19-8
3-(2-chlorophenyl)-2-cyano-acrylic acid methyl ester

Guidance literature:: In water; at 25 ℃; for 0.0666667h; Sonication; Green chemistry;
DOI:10.1080/00304948.2020.1831894

Reference yield: 96.5%

: 74446-19-8
3-(2-chlorophenyl)-2-cyano-acrylic acid methyl ester

Guidance literature:: With ruthenium-carbon composite; at 160 ℃; for 4h;

Reference yield: 90.0%

: 89-98-5
2-chloro-benzaldehyde

: 105-34-0
methyl 2-cyanoacetate

: 54440-98-1,74446-19-8
methyl (E)-2-cyano-3-(2-chlorophenyl)prop-2-enoate

Guidance literature:: With copolymer of allylamine and epichlorohydrin (11 molpercent); In water; at 20 ℃; for 0.833333h; Green chemistry;
DOI:10.1016/j.cclet.2014.03.002