benzyl 4-((chlorosulfonyl)Methyl)piperidine-1-carboxylate

Base Information

• Chemical Name: benzyl 4-((chlorosulfonyl)Methyl)piperidine-1-carboxylate
• CAS No.: 1211587-42-6
• Molecular Formula: C14H18ClNO4S
• Molecular Weight: 331.82
• Hs Code.: 2933399990
• Mol file: 1211587-42-6.mol

Synonyms:benzyl 4-((chlorosulfonyl)Methyl)piperidine-1-carboxylate

Chemical Property of benzyl 4-((chlorosulfonyl)Methyl)piperidine-1-carboxylate

Chemical Property:

• Boiling Point: 471.5±28.0 °C(Predicted)
• PKA: -2.28±0.40(Predicted)
• PSA: 72.06000
• Density: 1.330±0.06 g/cm3(Predicted)
• LogP: 3.62250
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C

Purity/Quality:

99%, ^*data from raw suppliers

4-[(Chlorosulfonyl)methyl]-1-piperidinecarboxylicAcidPhenylmethylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 4-[(Chlorosulfonyl)methyl]-1-piperidinecarboxylic Acid Phenylmethyl Ester is an intermediate used in the synthesis of EPZ031686, the first orally bioavailable small molecule SMYD3 inhibitor.

Technology Process of benzyl 4-((chlorosulfonyl)Methyl)piperidine-1-carboxylate

There total 5 articles about benzyl 4-((chlorosulfonyl)Methyl)piperidine-1-carboxylate 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: 84.0%

benzyl 4-((acetylsulfanyl)methyl)piperidine-1-carboxylate (1355455-38-7) → benzyl 4-[(chlorosulfonyl)methyl]piperidine-1-carboxylate (1211587-42-6)

Guidance literature:

With N-chloro-succinimide; In water; acetic acid; at 0 - 25 ℃; for 2h;

Reference yield:

1-(benzyloxycarbonyl)piperidin-4-ylmethyl methanesulfonate (159275-16-8) → benzyl 4-[(chlorosulfonyl)methyl]piperidine-1-carboxylate (1211587-42-6)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / N,N-dimethyl-formamide / 10 - 80 °C

2: water; chlorine / dichloromethane / 0 - 10 °C

With water; chlorine; potassium carbonate; In dichloromethane; N,N-dimethyl-formamide;

DOI:10.1055/s-0030-1260223

Reference yield:

benzyl 4-(hydroxymethyl)piperidine-N-carboxylate (122860-33-7) → benzyl 4-[(chlorosulfonyl)methyl]piperidine-1-carboxylate (1211587-42-6)

Guidance literature:

Multi-step reaction with 3 steps

1: triethylamine / dichloromethane / 0 °C

2: potassium carbonate / N,N-dimethyl-formamide / 10 - 80 °C

3: water; chlorine / dichloromethane / 0 - 10 °C

With water; chlorine; potassium carbonate; triethylamine; In dichloromethane; N,N-dimethyl-formamide;

DOI:10.1055/s-0030-1260223

upstream raw materials:

4-piperidinemethanol

1-(benzyloxycarbonyl)piperidin-4-ylmethyl methanesulfonate

benzyl 4-((acetylsulfanyl)methyl)piperidine-1-carboxylate

benzyl chloroformate

Downstream raw materials:

H-4PiMS-Phe-NHiPr

PhC(O)-4PiMS-Phe-NHiPr

Boc-Ala-4PiMS-Phe-NHiPr

PhC(O)-Ala-4PiMS-Phe-NHiPr

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