2-(2-chloro-allyl)-N¹-[2-cyclohexyl-1-(5-isobutyl-2,2-dimethyl-[1,3]dioxolan-4-yl)-ethyl]-N⁴-cyclohexylmethyl-N⁴-{[methyl-(2-pyridin-2-yl-ethyl)-carbamoyl]-methyl}-succinamide

Base Information

• Chemical Name: 2-(2-chloro-allyl)-N¹-[2-cyclohexyl-1-(5-isobutyl-2,2-dimethyl-[1,3]dioxolan-4-yl)-ethyl]-N⁴-cyclohexylmethyl-N⁴-{[methyl-(2-pyridin-2-yl-ethyl)-carbamoyl]-methyl}-succinamide
• CAS No.: 245756-18-7
• Molecular Formula: C₄₁H₆₅ClN₄O₅
• Molecular Weight: 729.444

Synonyms:2-(2-chloro-allyl)-N¹-[2-cyclohexyl-1-(5-isobutyl-2,2-dimethyl-[1,3]dioxolan-4-yl)-ethyl]-N⁴-cyclohexylmethyl-N⁴-{[methyl-(2-pyridin-2-yl-ethyl)-carbamoyl]-methyl}-succinamide

Chemical Property of 2-(2-chloro-allyl)-N¹-[2-cyclohexyl-1-(5-isobutyl-2,2-dimethyl-[1,3]dioxolan-4-yl)-ethyl]-N⁴-cyclohexylmethyl-N⁴-{[methyl-(2-pyridin-2-yl-ethyl)-carbamoyl]-methyl}-succinamide

Chemical Property:

Purity/Quality:

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Useful:

Technology Process of 2-(2-chloro-allyl)-N¹-[2-cyclohexyl-1-(5-isobutyl-2,2-dimethyl-[1,3]dioxolan-4-yl)-ethyl]-N⁴-cyclohexylmethyl-N⁴-{[methyl-(2-pyridin-2-yl-ethyl)-carbamoyl]-methyl}-succinamide

There total 17 articles about 2-(2-chloro-allyl)-N¹-[2-cyclohexyl-1-(5-isobutyl-2,2-dimethyl-[1,3]dioxolan-4-yl)-ethyl]-N⁴-cyclohexylmethyl-N⁴-{[methyl-(2-pyridin-2-yl-ethyl)-carbamoyl]-methyl}-succinamide 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:

2-Methoxypropene (116-11-0) + 2-(2-chloro-allyl)-N4-cyclohexylmethyl-N1-(1-cyclohexylmethyl-2,3-dihydroxy-5-methyl-hexyl)-N4-{[methyl-(2-pyridin-2-yl-ethyl)-carbamoyl]-methyl}-succinamide (245756-11-0) → 2-(2-chloro-allyl)-N1-[2-cyclohexyl-1-(5-isobutyl-2,2-dimethyl-[1,3]dioxolan-4-yl)-ethyl]-N4-cyclohexylmethyl-N4-{[methyl-(2-pyridin-2-yl-ethyl)-carbamoyl]-methyl}-succinamide (245756-18-7)

Guidance literature:

With toluene-4-sulfonic acid; In dichloromethane; at 20 ℃; for 64h;

DOI:10.1021/jo990321x

Reference yield:

dimethyl(2-chloro-2-propenyl)malonate (58404-02-7) → 2-(2-chloro-allyl)-N1-[2-cyclohexyl-1-(5-isobutyl-2,2-dimethyl-[1,3]dioxolan-4-yl)-ethyl]-N4-cyclohexylmethyl-N4-{[methyl-(2-pyridin-2-yl-ethyl)-carbamoyl]-methyl}-succinamide (245756-18-7)

Guidance literature:

Multi-step reaction with 8 steps

1.1: BnEt₃NCl; 10N NaOH / H₂O / 20 °C

2.1: KOH / methanol; H₂O / 20 °C

3.1: toluene / 20 h / Heating

4.1: 48 percent / Alcalase / H₂O; acetone / 71 h / pH 7.2 - 8.1

5.1: 92 percent / DIEA; HOBt; DCC / tetrahydrofuran / 20 °C

6.1: TFA / 0 - 20 °C

6.2: 2.5N NaOH / methanol / pH 11 - 12

6.3: conc. HCl / H₂O / 1 h / 20 °C / pH 1

7.1: N-methylmorpholine; pivaloyl chloride / tetrahydrofuran / 2 h / 0 - 5 °C

7.2: N-methylmorpholine / tetrahydrofuran / 5 - 20 °C

8.1: p-TsOH*H₂O / CH₂Cl₂ / 64 h / 20 °C

With 4-methyl-morpholine; potassium hydroxide; sodium hydroxide; Alcalase; N-benzyl-N,N,N-triethylammonium chloride; pivaloyl chloride; benzotriazol-1-ol; toluene-4-sulfonic acid; N-ethyl-N,N-diisopropylamine; dicyclohexyl-carbodiimide; trifluoroacetic acid; In tetrahydrofuran; methanol; dichloromethane; water; acetone; toluene; 1.1: Alkylation / 2.1: Hydrolysis / 3.1: Decarboxylation / 4.1: Hydrolysis / 5.1: Acylation / 6.1: Hydrolysis / 6.2: Hydrolysis / 6.3: Hydrolysis / 7.1: Substitution / 7.2: Acylation / 8.1: Cycloaddition;

DOI:10.1021/jo990321x

Reference yield:

2(S)-(2-chloro-2-propenyl)-1,4-butanedioic acid 4-(1,1-dimethylethyl) ester (192516-47-5) → 2-(2-chloro-allyl)-N1-[2-cyclohexyl-1-(5-isobutyl-2,2-dimethyl-[1,3]dioxolan-4-yl)-ethyl]-N4-cyclohexylmethyl-N4-{[methyl-(2-pyridin-2-yl-ethyl)-carbamoyl]-methyl}-succinamide (245756-18-7)

Guidance literature:

Multi-step reaction with 4 steps

1.1: 92 percent / DIEA; HOBt; DCC / tetrahydrofuran / 20 °C

2.1: TFA / 0 - 20 °C

2.2: 2.5N NaOH / methanol / pH 11 - 12

2.3: conc. HCl / H₂O / 1 h / 20 °C / pH 1

3.1: N-methylmorpholine; pivaloyl chloride / tetrahydrofuran / 2 h / 0 - 5 °C

3.2: N-methylmorpholine / tetrahydrofuran / 5 - 20 °C

4.1: p-TsOH*H₂O / CH₂Cl₂ / 64 h / 20 °C

With 4-methyl-morpholine; pivaloyl chloride; benzotriazol-1-ol; toluene-4-sulfonic acid; N-ethyl-N,N-diisopropylamine; dicyclohexyl-carbodiimide; trifluoroacetic acid; In tetrahydrofuran; dichloromethane; 1.1: Acylation / 2.1: Hydrolysis / 2.2: Hydrolysis / 2.3: Hydrolysis / 3.1: Substitution / 3.2: Acylation / 4.1: Cycloaddition;

DOI:10.1021/jo990321x

upstream raw materials:

2-Methoxypropene

2-(2-chloro-allyl)-N⁴-cyclohexylmethyl-N¹-(1-cyclohexylmethyl-2,3-dihydroxy-5-methyl-hexyl)-N⁴-{[methyl-(2-pyridin-2-yl-ethyl)-carbamoyl]-methyl}-succinamide

betahistine

dimethyl(2-chloro-2-propenyl)malonate

Downstream raw materials:

BILA 2157 BS

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