MK-8245

Base Information

• Chemical Name: MK-8245
• CAS No.: 1030612-87-3
• Molecular Formula: C16H15BrFN7O3S
• Molecular Weight: 484.309
• Hs Code.: 2934999090
• Mol file: 1030612-87-3.mol

Synonyms:MK-8245;2-(5-(5-(4-(2-bromo-5-fluorophenoxy)piperidin-1-yl)-1,3,4-thiadiazol-2-yl)-2H-tetrazol-2-yl)acetic acid;(5-{5-[4-(2-broMo-5-fluorophenoxy)piperidin-1-yl]-[1,3,4]-thiadiazol-2-yl}-2H-tetrazol-2-yl)acetic acid;5-[5-[4-(2-Bromo-5-fluorophenoxy)-1-piperidinyl]-1,3,4-thiadiazol-2-yl]-2H-tetrazole-2-acetic acid

Chemical Property of MK-8245

Chemical Property:

• PSA: 147.39000
• LogP: 2.29060

Purity/Quality:

99%, ^*data from raw suppliers

2-(5-(5-(4-(2-Bromo-5-fluorophenoxy)piperidin-1-yl)-1,3,4-thiadiazol-2-yl)-2H-tetrazol-2-yl)acetic acid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of MK-8245

There total 6 articles about MK-8245 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: 92.0%

ethyl (5-{5-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}-2H-tetrazol-2-yl)acetate (1030613-22-9) → (5-{5-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}-2H-tetrazol-2-yl)acetic acid (1030612-87-3)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; at 20 ℃; for 0.0833333h;

DOI:10.1021/jm200319u

Reference yield:

5-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]-1,3,4-thiadiazole-2-carbonitrile (1020658-57-4) → (5-{5-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}-2H-tetrazol-2-yl)acetic acid (1030612-87-3)

Guidance literature:

Multi-step reaction with 3 steps

1.1: sodium azide; pyridine hydrochloride / 1-methyl-pyrrolidin-2-one / 4 h / 130 °C

1.2: 20 °C

2.1: sodium hydride / N,N-dimethyl-formamide; mineral oil / -78 - 0 °C

2.2: -78 - 20 °C

3.1: sodium hydroxide / tetrahydrofuran / 0.08 h / 20 °C

With sodium azide; pyridine hydrochloride; sodium hydride; sodium hydroxide; In tetrahydrofuran; 1-methyl-pyrrolidin-2-one; N,N-dimethyl-formamide; mineral oil;

DOI:10.1021/jm200319u

Reference yield:

4-(2-bromo-5-fluorophenoxy)-1-[5-(2H-tetrazol-5-yl)-1,3,4-thiadiazol-2-yl]piperidine (1030613-20-7) → (5-{5-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}-2H-tetrazol-2-yl)acetic acid (1030612-87-3)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium hydride / N,N-dimethyl-formamide; mineral oil / -78 - 0 °C

1.2: -78 - 20 °C

2.1: sodium hydroxide / tetrahydrofuran / 0.08 h / 20 °C

With sodium hydride; sodium hydroxide; In tetrahydrofuran; N,N-dimethyl-formamide; mineral oil;

DOI:10.1021/jm200319u

upstream raw materials:

4-(2-bromo-5-fluorophenoxy)piperidine

5-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]-1,3,4-thiadiazole-2-carbonitrile

4-(2-bromo-5-fluorophenoxy)-1-[5-(2H-tetrazol-5-yl)-1,3,4-thiadiazol-2-yl]piperidine

ethyl (5-{5-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}-2H-tetrazol-2-yl)acetate

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