(1S,2S)-1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)cycloheptanol

Base Information

• Chemical Name: (1S,2S)-1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)cycloheptanol
• CAS No.: 100199-27-7
• Molecular Formula: C₁₅H₁₈ClN₃O
• Molecular Weight: 291.78
• Mol file: 100199-27-7.mol

Synonyms:

Chemical Property of (1S,2S)-1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)cycloheptanol

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of (1S,2S)-1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)cycloheptanol

There total 8 articles about (1S,2S)-1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)cycloheptanol 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: 54.0%

2-(1H-1,2,4-triazol-1-yl)cycloheptanone (100199-07-3) + (4-chlorphenyl)magnesium bromide (873-77-8) → (dl)-cis-1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)cycloheptanol (100199-27-7,129501-00-4,129586-32-9,133883-01-9,133883-02-0,133883-04-2)

Guidance literature:

In tetrahydrofuran; for 1h; Ambient temperature;

DOI:10.3987/COM-89-5280

Reference yield: 37.0%

1-(4-chlorophenyl)-1,2-epoxycyclohept-1-ene (129500-99-8) + sodium triazole (41253-21-8) → trans-1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)cycloheptanol (100199-27-7,129501-00-4,129586-32-9,133883-01-9,133883-02-0,133883-04-2)

Guidance literature:

In N,N-dimethyl acetamide; at 100 ℃; for 40h;

DOI:10.3987/COM-89-5280

Reference yield:

1-p-Chlorphenylcycloheptanol (77826-33-6) → trans-1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)cycloheptanol (100199-27-7,129501-00-4,129586-32-9,133883-01-9,133883-02-0,133883-04-2)

Guidance literature:

Multi-step reaction with 4 steps

1: 96 percent / p-toluenesulfonic acid / toluene / 1 h / Heating

2: 34 percent / N-bromoacetamide (NBA), H₂O / acetone / 6 h / Ambient temperature

3: 80 percent / N,N-dimethyl-acetamide / 30 h / 100 °C

4: 37 percent / N,N-dimethyl-acetamide / 40 h / 100 °C

With water; toluene-4-sulfonic acid; N-bromoacetamide; In N,N-dimethyl acetamide; acetone; toluene;

DOI:10.3987/COM-89-5280

upstream raw materials:

2-(1H-1,2,4-triazol-1-yl)cycloheptanone

(4-chlorphenyl)magnesium bromide

2-bromocycloheptanone

2-(1,2,4-triazol-1-yl)cycloheptanol

Refernces