methyl 2-(dicyanomethyl)-4-butyrate

Base Information

Chemical Name:methyl 2-(dicyanomethyl)-4-butyrate
CAS No.:133719-38-7
Molecular Formula:C₁₈H₂₁N₃O₄
Molecular Weight:343.382
Hs Code.:

methyl 2-(dicyanomethyl)-4-<N-(4-ethoxycarbonyl)phenyl-N-methylamino>butyrate

Synonyms:methyl 2-(dicyanomethyl)-4-butyrate

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Chemical Property of methyl 2-(dicyanomethyl)-4-butyrate

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Technology Process of methyl 2-(dicyanomethyl)-4-butyrate

There total 5 articles about methyl 2-(dicyanomethyl)-4-butyrate 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:

: 133719-36-5
methyl 4--2-iodobutyrate

: 109-77-3
malononitrile

: 133719-38-7
methyl 2-(dicyanomethyl)-4-butyrate

Guidance literature:: With sodium hydride; dimethyl sulfoxide; Yield given. Multistep reaction; 1.) 0 deg C, 5 min, 2.) DMSO, RT, 1.5 h;
DOI:10.1248/cpb.43.256

Reference yield:

: 1117-71-1
methyl 4-bromocrotonate

: 133719-38-7
methyl 2-(dicyanomethyl)-4-butyrate

Guidance literature:: Multi-step reaction with 4 steps

1: 80 percent / K₂CO₃, 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone / 13 h / 80 °C

2: 99 percent / H₂, acetic acid / Raney Ni / ethanol; tetrahydrofuran / 0.5 h

3: 1.) LDA, 2.) I₂ / 1.) THF, -78 deg C, 30 min, 2.) THF, -78 deg C, 20 min

4: 1.) NaH, DMSO / 1.) 0 deg C, 5 min, 2.) DMSO, RT, 1.5 h

With 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; hydrogen; iodine; sodium hydride; potassium carbonate; acetic acid; dimethyl sulfoxide; lithium diisopropyl amide; nickel; In tetrahydrofuran; ethanol;
DOI:10.1248/cpb.43.256

Reference yield:

: 10541-82-9
ethyl 4-(methylamino)benzoate

: 133719-38-7
methyl 2-(dicyanomethyl)-4-butyrate

Guidance literature:: Multi-step reaction with 4 steps

1: 80 percent / K₂CO₃, 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone / 13 h / 80 °C

2: 99 percent / H₂, acetic acid / Raney Ni / ethanol; tetrahydrofuran / 0.5 h

3: 1.) LDA, 2.) I₂ / 1.) THF, -78 deg C, 30 min, 2.) THF, -78 deg C, 20 min

4: 1.) NaH, DMSO / 1.) 0 deg C, 5 min, 2.) DMSO, RT, 1.5 h

With 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; hydrogen; iodine; sodium hydride; potassium carbonate; acetic acid; dimethyl sulfoxide; lithium diisopropyl amide; nickel; In tetrahydrofuran; ethanol;
DOI:10.1248/cpb.43.256