Cyclohexanol, 1-, 3-diisopropylamino-2-ethoxy-1-propynyl-

Base Information

• Chemical Name: Cyclohexanol, 1-, 3-diisopropylamino-2-ethoxy-1-propynyl-
• CAS No.: 16464-42-9
• Molecular Formula: C₁₇H₃₁NO₂
• Molecular Weight: 281.439
• DSSTox Substance ID: DTXSID30936964
• Mol file: 16464-42-9.mol

Synonyms:16464-42-9;3-[2-[di(propan-2-yl)amino]ethoxy]-1-prop-1-ynylcyclohexan-1-ol;3-[2-(DIPROPAN-2-YLAMINO)ETHOXY]-1-PROP-1-YNYL-CYCLOHEXAN-1-OL;Cyclohexanol, 1-, 3-diisopropylamino-2-ethoxy-1-propynyl-;DTXSID30936964;1-Cyclohexanol, 3-(2-diisopropylamino)ethoxy-1-(1-propynyl)-;3-{2-[Di(propan-2-yl)amino]ethoxy}-1-(prop-1-yn-1-yl)cyclohexan-1-ol

Chemical Property of Cyclohexanol, 1-, 3-diisopropylamino-2-ethoxy-1-propynyl-

Chemical Property:

• Vapor Pressure: 2.54E-07mmHg at 25°C
• Boiling Point: 379.6°Cat760mmHg
• PKA: 13.10±0.20(Predicted)
• Flash Point: 183.4°C
• PSA: 32.70000
• Density: 0.98g/cm³
• LogP: 2.81880
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 281.235479232
• Heavy Atom Count: 20
• Complexity: 345

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC#CC1(CCCC(C1)OCCN(C(C)C)C(C)C)O

Technology Process of Cyclohexanol, 1-, 3-diisopropylamino-2-ethoxy-1-propynyl-

There total 3 articles about Cyclohexanol, 1-, 3-diisopropylamino-2-ethoxy-1-propynyl- 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:

(2-chloroethyl)-diisopropylamine (96-79-7) → 1-<3-(2-Diisopropylaminoethoxy)-propin-(1)-yl>-cyclohexanol (16464-42-9)

Guidance literature:

Multi-step reaction with 2 steps

1: KOH

2: LiNH₂, NH₃

With potassium hydroxide; lithium amide; ammonia;

Reference yield:

N-<2-Propargyloxy-aethyl>-diisopropylamin (16488-94-1) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 1-<3-(2-Diisopropylaminoethoxy)-propin-(1)-yl>-cyclohexanol (16464-42-9)

Guidance literature:

With lithium amide; ammonia;

Reference yield:

→ 1-<3-(2-Diisopropylaminoethoxy)-propin-(1)-yl>-cyclohexanol (16464-42-9)

Guidance literature:

Aus Cyclohexanon u. Propargyl-2-diisopropylaminoethyl-ether;

upstream raw materials:

N-<2-Propargyloxy-aethyl>-diisopropylamin

cyclohexanone

(2-chloroethyl)-diisopropylamine

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