3,4-Dichloro-gamma-cyano-gamma-2-propen-1-ylbenzenebutanoic acid

Base Information

Chemical Name:3,4-Dichloro-gamma-cyano-gamma-2-propen-1-ylbenzenebutanoic acid
CAS No.:178312-63-5
Molecular Formula:C₁₄H₁₃Cl₂NO₂
Molecular Weight:298.169
Hs Code.:
DSSTox Substance ID:DTXSID801199763

Synonyms:SCHEMBL6955463;DTXSID801199763;3,4-Dichloro-gamma-cyano-gamma-2-propen-1-ylbenzenebutanoic acid;178312-63-5

Suppliers and Price of 3,4-Dichloro-gamma-cyano-gamma-2-propen-1-ylbenzenebutanoic acid

Supply Marketing:

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

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Chemical Property of 3,4-Dichloro-gamma-cyano-gamma-2-propen-1-ylbenzenebutanoic acid

Chemical Property:

XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:297.0323340
Heavy Atom Count:19
Complexity:390

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of 3,4-Dichloro-gamma-cyano-gamma-2-propen-1-ylbenzenebutanoic acid

There total 2 articles about 3,4-Dichloro-gamma-cyano-gamma-2-propen-1-ylbenzenebutanoic acid 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: 65.0%

: 43165-24-8
sodium salt of bromopropionic acid

: 178312-64-6
2-(3,4-dichlorophenyl)-pent-4-ene-nitrile

: 178312-63-5
4(S)-4-Cyano-4-(3,4-dichlorophenyl)hept-6-enoic acid

Guidance literature:: 2-(3,4-dichlorophenyl)-pent-4-ene-nitrile; With sodium hydride; In tetrahydrofuran; at 20 ℃; for 16h;

sodium salt of bromopropionic acid; In tetrahydrofuran; at 20 - 70 ℃; for 20h; Further stages.;
DOI:10.1021/jm0209331

Reference yield:

: 178312-63-5
4(S)-4-Cyano-4-(3,4-dichlorophenyl)hept-6-enoic acid

Guidance literature:

Reference yield:

: 178312-63-5
4(S)-4-Cyano-4-(3,4-dichlorophenyl)hept-6-enoic acid

: (R)-1-Cyclohexylmethyl-5-(3,4-dichloro-phenyl)-5-[2-(3-morpholin-4-yl-azetidin-1-yl)-ethyl]-piperidin-2-one

Guidance literature:: Multi-step reaction with 6 steps

1.1: toluene / 72 h / Heating

2.1: 1.55 g / LiAlH₄ / diethyl ether / 2 h

3.1: H₂SO₄ / ethanol / 5 h / Heating

4.1: KOH / dimethylsulfoxide / 16 h / 20 °C

5.1: ozone / methanol / -78 °C

5.2: Me₂S / methanol / -78 - 20 °C

6.1: NEt₃ / tetrahydrofuran / 1 h / 20 °C

6.2: sodium traiacetoxyborohydride; AcOH / tetrahydrofuran / 0.08 h / 20 °C

With potassium hydroxide; lithium aluminium tetrahydride; sulfuric acid; ozone; triethylamine; In tetrahydrofuran; methanol; diethyl ether; ethanol; dimethyl sulfoxide; toluene;
DOI:10.1021/jm0209331