Ethchlorvynol, (Z)-

Base Information

• Chemical Name: Ethchlorvynol, (Z)-
• CAS No.: 113-18-8
• Molecular Formula: C₇H₉ClO
• Molecular Weight: 144.601
• Hs Code.: 2905510000
• NSC Number: 30372
• UNII: XG4214OYOY
• ChEMBL ID: CHEMBL3559833
• Mol file: 113-18-8.mol

Synonyms:Ethchlorvynol, (Z)-;XG4214OYOY;UNII-XG4214OYOY;1071669-54-9;3-(.beta.-chlorovinyl)-1-pentyn-3-ol;.beta.-Chlorovinyl ethyl ethynyl carbinol;CHEMBL3559833;NSC30372;WLN: G1U1XQ2 & 1UU1;(1Z)-1-chloro-3-ethylpent-1-en-4-yn-3-ol

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Chemical Property of Ethchlorvynol, (Z)-

Chemical Property:

• Vapor Pressure: 0.395mmHg at 25°C
• Melting Point: 25°C
• Refractive Index: nD25 1.4675-1.4800
• Boiling Point: 173.5°Cat760mmHg
• PKA: 12.06±0.29(Predicted)
• Flash Point: 68.4°C
• PSA: 20.23000
• Density: 1.108g/cm³
• LogP: 1.51320
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 144.0341926
• Heavy Atom Count: 9
• Complexity: 154

Purity/Quality:

Safty Information:

• Pictogram(s): Abuse may cause addiction.
• Hazard Codes: Abuse may cause addiction.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C=CCl)(C#C)O
• Isomeric SMILES: CCC(/C=C\Cl)(C#C)O
• Uses: Controlled substance (depressant). Sedative; hypnotic.
• Therapeutic Function: Sedative, Hypnotic

Technology Process of Ethchlorvynol, (Z)-

There total 2 articles about Ethchlorvynol, (Z)- 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:

1-chloro-pent-1-en-3-one (105-32-8) + lithium acetylide (70277-75-7) → ethchlorvynol (113-18-8)

Guidance literature:

With diethyl ether; ammonia;

DOI:10.1021/jo01119a018

Reference yield:

→ ethchlorvynol (113-18-8)

Guidance literature:

a) Ethyl-β-chlor-vinylketon, Di-Li-Acetylid, fl. NH3, -55grad;

DOI:10.1021/jo01266a060

Reference yield:

ethchlorvynol (113-18-8) + (2,4-dinitro-phenyl)-hydrazine (119-26-6) → 3-Aethyl-penten-(2)-in-(4)-al-(2.4-dinitro-phenylhydrazon) (91803-70-2)

Guidance literature:

DOI:10.1002/jps.2600530740

upstream raw materials:

1-chloro-pent-1-en-3-one

lithium acetylide

Downstream raw materials:

3-Aethyl-penten-⁽²⁾-in-⁽⁴⁾-al-(2.4-dinitro-phenylhydrazon)