Methyl 2-cyano-2-(prop-2-en-1-yl)pent-4-enoate

Base Information

Chemical Name:Methyl 2-cyano-2-(prop-2-en-1-yl)pent-4-enoate
CAS No.:42550-76-5
Molecular Formula:C10H13NO2
Molecular Weight:179.219
Hs Code.:
DSSTox Substance ID:DTXSID10544884
Nikkaji Number:J1.219.965A
Wikidata:Q82422180

Synonyms:42550-76-5;SCHEMBL10900919;DTXSID10544884;Methyl 2-cyano-2-(prop-2-en-1-yl)pent-4-enoate

Suppliers and Price of Methyl 2-cyano-2-(prop-2-en-1-yl)pent-4-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

Total 0 raw suppliers

Chemical Property of Methyl 2-cyano-2-(prop-2-en-1-yl)pent-4-enoate

Chemical Property:

XLogP3:2.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:179.094628657
Heavy Atom Count:13
Complexity:249

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Methyl 2-cyano-2-(prop-2-en-1-yl)pent-4-enoate

There total 5 articles about Methyl 2-cyano-2-(prop-2-en-1-yl)pent-4-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: 86.0%

: 24850-33-7
allyltributylstanane

: 107-05-1
3-chloroprop-1-ene

: 105-34-0
methyl 2-cyanoacetate

: 42550-76-5
cyano-diallylacetic acid methyl ester

: 1461-22-9
tributyltin chloride

Guidance literature:: With catalyst: Pd(OAc)2-triphenylphosphine; In dimethyl sulfoxide; under Ar; DMSO, CH2CHCH2Cl, allylstannane, NCCH2CO2CH3 added to mixt. ofPd(OAc)2 and PPh3 (molar ratio 8:7:4:1:2); heated at 100°C for 2 0 h; treated with water; extd. with ether; distd. under reduced pressure; detd. by GC;
DOI:10.1246/bcsj.74.1939

Reference yield: 64.0%

: 24850-33-7
allyltributylstanane

: 100-52-7
benzaldehyde

: 107-05-1
3-chloroprop-1-ene

: 105-34-0
methyl 2-cyanoacetate

: 42550-76-5
cyano-diallylacetic acid methyl ester

: 80735-94-0,936-58-3
1-Phenyl-3-buten-1-ol

: 1461-22-9
tributyltin chloride

: 2-allyl-2-cyano-3-phenyl-hex-5-enoic acid methyl ester

Guidance literature:: With catalyst: Pd(OAc)2-triphenylphosphine; In tetrahydrofuran; under Ar; THF, CH2CHCH2Cl, allylstannane, NCCH2CO2CH3 and PhCHO added tomixt. of Pd(OAc)2 and PPh3 (molar ratio 17:19:11:10:1:2); heated at ref lux for 20 h; treated with water; extd. with ether; distd. under reduced pressure; detd. by GC;
DOI:10.1246/bcsj.74.1939

Reference yield:

: 24850-33-7
allyltributylstanane

: 100-52-7
benzaldehyde

: 105-34-0
methyl 2-cyanoacetate

: 42550-76-5
cyano-diallylacetic acid methyl ester

: 80735-94-0,936-58-3
1-Phenyl-3-buten-1-ol

Guidance literature:: allyltributylstanane; (η³-allylPdCl)2; In tetrahydrofuran; at -60 - -40 ℃; for 1h;

benzaldehyde; methyl 2-cyanoacetate; With triphenylphosphine; In tetrahydrofuran; at -40 - 20 ℃; Title compound not separated from byproducts;
DOI:10.1246/bcsj.74.1939