trans-5-Chloro-N-[4-(phenylmethoxy)cyclohexyl]pentanamide

Base Information

• Chemical Name: trans-5-Chloro-N-[4-(phenylmethoxy)cyclohexyl]pentanamide
• CAS No.: 98454-45-6
• Molecular Formula: C18H26 Cl N O2
• Molecular Weight: 323.86
• DSSTox Substance ID: DTXSID60540790
• Mol file: 98454-45-6.mol

Synonyms:98454-45-6;trans-5-Chloro-N-[4-(phenylmethoxy)cyclohexyl]pentanamide;5-chloro-N-(4-phenylmethoxycyclohexyl)pentanamide;N-[4-(BENZYLOXY)CYCLOHEXYL]-5-CHLOROPENTANAMIDE;TRANS-5-CHLORO-N-[4-(PHENYLMETHOXY)CYCLOHEXYL]-PENTANAMIDE;DTXSID60540790;AKOS030255232

Chemical Property of trans-5-Chloro-N-[4-(phenylmethoxy)cyclohexyl]pentanamide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 108-109.50C
• Refractive Index: 1.534
• Boiling Point: 499.313°C at 760 mmHg
• Flash Point: 255.776°C
• PSA: 38.33000
• Density: 1.111g/cm³
• LogP: 4.43060
• Solubility.: Chloroform, Dichloromethane, Ethyl Acetate
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 323.1652068
• Heavy Atom Count: 22
• Complexity: 310

Purity/Quality:

98%Min ^*data from raw suppliers

trans-5-Chloro-N-[4-(phenylmethoxy)cyclohexyl]pentanamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(CCC1NC(=O)CCCCCl)OCC2=CC=CC=C2

Technology Process of trans-5-Chloro-N-[4-(phenylmethoxy)cyclohexyl]pentanamide

There total 4 articles about trans-5-Chloro-N-[4-(phenylmethoxy)cyclohexyl]pentanamide 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: 80.0%

5-Chlorovaleroyl chloride (1575-61-7) + trans-O-benzyl-4-aminocyclohexanol (98454-39-8,160357-83-5) → N-(trans-4-benzyloxycyclohexyl)-5-chlorovaleramide (98454-45-6)

Guidance literature:

With potassium carbonate; In tetrahydrofuran; water; for 0.5h; Ambient temperature;

DOI:10.1248/cpb.33.1140

Reference yield:

N-((trans)-4-hydroxycyclohexyl)acetamide (27489-60-7) → N-(trans-4-benzyloxycyclohexyl)-5-chlorovaleramide (98454-45-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 74 percent / 60percent NaH, DMSO / 1 h / Ambient temperature

2: 83 percent / 85percent KOH / H₂O; 2-methoxy-ethanol / 20 h / Heating

3: 80 percent / K₂CO₃ / tetrahydrofuran; H₂O / 0.5 h / Ambient temperature

With potassium hydroxide; sodium hydride; potassium carbonate; dimethyl sulfoxide; In tetrahydrofuran; 2-methoxy-ethanol; water;

DOI:10.1248/cpb.33.1140

Reference yield:

benzyl chloride (100-44-7) → N-(trans-4-benzyloxycyclohexyl)-5-chlorovaleramide (98454-45-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 74 percent / 60percent NaH, DMSO / 1 h / Ambient temperature

2: 83 percent / 85percent KOH / H₂O; 2-methoxy-ethanol / 20 h / Heating

3: 80 percent / K₂CO₃ / tetrahydrofuran; H₂O / 0.5 h / Ambient temperature

With potassium hydroxide; sodium hydride; potassium carbonate; dimethyl sulfoxide; In tetrahydrofuran; 2-methoxy-ethanol; water;

DOI:10.1248/cpb.33.1140

upstream raw materials:

5-Chlorovaleroyl chloride

trans-O-benzyl-4-aminocyclohexanol

N-((trans)-4-hydroxycyclohexyl)acetamide

benzyl chloride

Downstream raw materials:

1-(trans-4-benzyloxycyclohexyl)-5-(4-chlorobutyl)-1H-tetrazole

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