7-[3-(3-Cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid

Base Information

• Chemical Name: 7-[3-(3-Cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid
• CAS No.: 75693-75-3
• Molecular Formula: C19H32 N2 O5
• Molecular Weight: 368.473
• European Community (EC) Number: 278-291-0
• DSSTox Substance ID: DTXSID50997118
• Nikkaji Number: J22.075B
• Wikidata: Q27075592
• Pharos Ligand ID: WPNUATVNNYUT
• ChEMBL ID: CHEMBL575504
• Mol file: 75693-75-3.mol

Synonyms:245C77;5-(6-carboxyhexyl)-1-(3-cyclohexyl-3-hydroxypropyl)hydantoin;BW 245C;BW 245C, (R*,S*)-(+-);BW-245C

Chemical Property of 7-[3-(3-Cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid

Chemical Property:

• PSA: 110.43000
• Density: 1.167g/cm³
• LogP: 2.87710
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 11
• Exact Mass: 368.23112213
• Heavy Atom Count: 26
• Complexity: 490

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)C(CCN2C(C(=O)NC2=O)CCCCCCC(=O)O)O

Technology Process of 7-[3-(3-Cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid

There total 7 articles about 7-[3-(3-Cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic 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:

diethyl 2-aminononanedioate (65705-50-2) → 5-(6-carboxyhexyl)-1-(3-cyclohexyl-3-hydroxypropyl)hydantoin (65705-82-0,65705-83-1,72814-32-5,72814-36-9,72880-75-2,75693-75-3,78420-14-1,78420-15-2,78420-16-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 2.) NaBH₄

With sodium tetrahydroborate;

DOI:10.1039/P19810000706

Reference yield:

potassium cyanate (590-28-3) + (+/-)-diethyl 2-(3-cyclohexyl-3-hydroxypropylamino)nonanedioate hydrochloride (73487-97-5,73490-35-4) → 5-(6-carboxyhexyl)-1-(3-cyclohexyl-3-hydroxypropyl)hydantoin (65705-82-0,65705-83-1,72814-32-5,72814-36-9,72880-75-2,75693-75-3,78420-14-1,78420-15-2,78420-16-3)

Guidance literature:

Multistep reaction;

DOI:10.1039/P19810000706

Reference yield:

diethyl 2-aminononanedioate (65705-50-2) → 5-(6-carboxyhexyl)-1-(3-cyclohexyl-3-hydroxypropyl)hydantoin (65705-82-0,65705-83-1,72814-32-5,72814-36-9,72880-75-2,75693-75-3,78420-14-1,78420-15-2,78420-16-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 2.) NaBH₄

With sodium tetrahydroborate;

DOI:10.1039/P19810000706

upstream raw materials:

potassium cyanate

1-cyclohexylprop-2-en-1-one

diethyl 2-aminononanedioate

diethyl 2-ureidononanedioate

Downstream raw materials:

1-(3-cyclohexyl-3-hydroxy-propyl)-5-(7-hydroxy-heptyl)-imidazolidine-2,4-dione

7-[3-(3-cyclohexyl-3-hydroxy-propyl)-2,5-dioxo-imidazolidin-4-yl]-heptanoic acid ethyl ester

(+/-)-3-(3-cyclohexyl-3-oxopropyl)-2,5-dioxo-4-imidazolidineheptanoic acid

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